Tuesday, August 6, 2013

All Chemical Compounds Information




Product OPENEYE NAME: (2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-N,N-dimethyl-acetamide
CAS Name: (2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-N,N-dimethylacetamide
IUPAC NAME: (2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-N,N-dimethylacetamide
SYSTEMATIC NAME: (2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)-N,N-dimethyl-ethanamide
MOLECULAR FORMULA: C13H16N2OS
MOLECULAR WEIGHT: 248.34394
SMILES: CCN\1C2=CC=CC=C2S/C1=C/C(=O)N(C)C
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Product OPENEYE NAME: 2-methyl-4-nitro-aniline; 4-nitronaphthalen-1-amine
CAS Name: 2-methyl-4-nitroaniline; 4-nitro-1-naphthalenamine
IUPAC NAME: 2-methyl-4-nitroaniline; 4-nitronaphthalen-1-amine
SYSTEMATIC NAME: 2-methyl-4-nitro-aniline; 4-nitronaphthalen-1-amine
MOLECULAR FORMULA: C17H16N4O4
MOLECULAR WEIGHT: 340.33334
SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])N.C1=CC=C2C(=C1)C(=CC=C2[N+](=O)[O-])N
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Product OPENEYE NAME: 4-ethylbenzene-1,3-disulfonyl chloride
CAS Name: 4-ethylbenzene-1,3-disulfonyl chloride
IUPAC NAME: 4-ethylbenzene-1,3-disulfonyl chloride
SYSTEMATIC NAME: 4-ethylbenzene-1,3-disulfonyl chloride
MOLECULAR FORMULA: C8H8Cl2O4S2
MOLECULAR WEIGHT: 303.18272
SMILES: CCC1=C(C=C(C=C1)S(=O)(=O)Cl)S(=O)(=O)Cl
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Product OPENEYE NAME: nitro(phenyl)methanesulfonyl chloride
CAS Name: nitro(phenyl)methanesulfonyl chloride
IUPAC NAME: nitro(phenyl)methanesulfonyl chloride
SYSTEMATIC NAME: nitro(phenyl)methanesulfonyl chloride
MOLECULAR FORMULA: C7H6ClNO4S
MOLECULAR WEIGHT: 235.64484
SMILES: C1=CC=C(C=C1)C([N+](=O)[O-])S(=O)(=O)Cl
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Product OPENEYE NAME: 5-chloro-2-methyl-benzene-1,3-disulfonyl chloride
CAS Name: 5-chloro-2-methylbenzene-1,3-disulfonyl chloride
IUPAC NAME: 5-chloro-2-methylbenzene-1,3-disulfonyl chloride
SYSTEMATIC NAME: 5-chloranyl-2-methyl-benzene-1,3-disulfonyl chloride
MOLECULAR FORMULA: C7H5Cl3O4S2
MOLECULAR WEIGHT: 323.6012
SMILES: CC1=C(C=C(C=C1S(=O)(=O)Cl)Cl)S(=O)(=O)Cl
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Product OPENEYE NAME: ethyl 2,12-dioxo-1,7,12a,12b-tetrahydronaphtho[2,3-f]cinnoline-1-carboxylate
CAS Name: 2,12-dioxo-1,7,12a,12b-tetrahydronaphtho[2,3-f]cinnoline-1-carboxylic acid ethyl ester
IUPAC NAME: ethyl 2,12-dioxo-1,7,12a,12b-tetrahydronaphtho[2,3-f]cinnoline-1-carboxylate
SYSTEMATIC NAME: ethyl 2,12-bis(oxidanylidene)-1,7,12a,12b-tetrahydronaphtho[2,3-f]cinnoline-1-carboxylate
MOLECULAR FORMULA: C19H16N2O4
MOLECULAR WEIGHT: 336.34134
SMILES: CCOC(=O)C1C2C3C(=CC=C2N=NC1=O)CC4=CC=CC=C4C3=O
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Product OPENEYE NAME: 2-[(Z,3E)-3-(3H-1,3-benzothiazol-2-ylidene)-1-ethyl-prop-1-enyl]-3-ethyl-phenanthro[9,10-d]thiazol-3-ium bromide
CAS Name: 2-[(Z,1E)-1-(3H-1,3-benzothiazol-2-ylidene)pent-2-en-3-yl]-3-ethylphenanthro[9,10-d]thiazol-3-ium bromide
IUPAC NAME: 2-[(Z,1E)-1-(3H-1,3-benzothiazol-2-ylidene)pent-2-en-3-yl]-3-ethylphenanthro[9,10-d][1,3]thiazol-3-ium bromide
SYSTEMATIC NAME: 2-[(Z,1E)-1-(3H-1,3-benzothiazol-2-ylidene)pent-2-en-3-yl]-3-ethyl-phenanthro[9,10-d][1,3]thiazol-3-ium bromide
MOLECULAR FORMULA: C29H25BrN2S2
MOLECULAR WEIGHT: 545.5562
SMILES: CC/C(=C/C=C/1\NC2=CC=CC=C2S1)/C3=[N+](C4=C(S3)C5=CC=CC=C5C6=CC=CC=C64)CC.[Br-]
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Product OPENEYE NAME: 2-[(Z,3E)-3-(3H-1,3-benzothiazol-2-ylidene)-1-ethyl-prop-1-enyl]-3-ethyl-phenanthro[9,10-d]thiazol-3-ium
CAS Name: 2-[(Z,1E)-1-(3H-1,3-benzothiazol-2-ylidene)pent-2-en-3-yl]-3-ethylphenanthro[9,10-d]thiazol-3-ium
IUPAC NAME: 2-[(Z,1E)-1-(3H-1,3-benzothiazol-2-ylidene)pent-2-en-3-yl]-3-ethylphenanthro[9,10-d][1,3]thiazol-3-ium
SYSTEMATIC NAME: 2-[(Z,1E)-1-(3H-1,3-benzothiazol-2-ylidene)pent-2-en-3-yl]-3-ethyl-phenanthro[9,10-d][1,3]thiazol-3-ium
MOLECULAR FORMULA: C29H25N2S2+
MOLECULAR WEIGHT: 465.6522
SMILES: CC/C(=C/C=C/1\NC2=CC=CC=C2S1)/C3=[N+](C4=C(S3)C5=CC=CC=C5C6=CC=CC=C64)CC
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Product OPENEYE NAME: vinyl 3-cyanobut-3-enoate
CAS Name: 3-cyano-3-butenoic acid ethenyl ester
IUPAC NAME: ethenyl 3-cyanobut-3-enoate
SYSTEMATIC NAME: ethenyl 3-cyanobut-3-enoate
MOLECULAR FORMULA: C7H7NO2
MOLECULAR WEIGHT: 137.13598
SMILES: C=COC(=O)CC(=C)C#N
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Product OPENEYE NAME: (2-amino-3-hydrazino-3-oxo-propyl) acetate dihydrobromide
CAS Name: acetic acid (2-amino-3-hydrazinyl-3-oxopropyl) ester dihydrobromide
IUPAC NAME: (2-amino-3-hydrazinyl-3-oxopropyl) acetate dihydrobromide
SYSTEMATIC NAME: (2-azanyl-3-diazanyl-3-oxidanylidene-propyl) ethanoate dihydrobromide
MOLECULAR FORMULA: C5H13Br2N3O3
MOLECULAR WEIGHT: 322.98302
SMILES: CC(=O)OCC(C(=O)NN)N.Br.Br
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Product OPENEYE NAME: (2-amino-3-hydrazino-3-oxo-propyl) acetate
CAS Name: acetic acid (2-amino-3-hydrazinyl-3-oxopropyl) ester
IUPAC NAME: (2-amino-3-hydrazinyl-3-oxopropyl) acetate
SYSTEMATIC NAME: (2-azanyl-3-diazanyl-3-oxidanylidene-propyl) ethanoate
MOLECULAR FORMULA: C5H11N3O3
MOLECULAR WEIGHT: 161.15914
SMILES: CC(=O)OCC(C(=O)NN)N
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Product OPENEYE NAME: 2-amino-4-methylsulfanyl-butanehydrazide dihydrobromide
CAS Name: 2-amino-4-(methylthio)butanehydrazide dihydrobromide
IUPAC NAME: 2-amino-4-methylsulfanylbutanehydrazide dihydrobromide
SYSTEMATIC NAME: 2-azanyl-4-methylsulfanyl-butanehydrazide dihydrobromide
MOLECULAR FORMULA: C5H15Br2N3OS
MOLECULAR WEIGHT: 325.0651
SMILES: CSCCC(C(=O)NN)N.Br.Br
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Product OPENEYE NAME: [2-[(2-amino-3-phenyl-propanoyl)amino]-3-hydrazino-3-oxo-propyl] acetate dihydrobromide
CAS Name: acetic acid [2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-hydrazinyl-3-oxopropyl] ester dihydrobromide
IUPAC NAME: [2-[(2-amino-3-phenylpropanoyl)amino]-3-hydrazinyl-3-oxopropyl] acetate dihydrobromide
SYSTEMATIC NAME: [2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-diazanyl-3-oxidanylidene-propyl] ethanoate dihydrobromide
MOLECULAR FORMULA: C14H22Br2N4O4
MOLECULAR WEIGHT: 470.15688
SMILES: CC(=O)OCC(C(=O)NN)NC(=O)C(CC1=CC=CC=C1)N.Br.Br
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Product OPENEYE NAME: [2-[(2-amino-3-phenyl-propanoyl)amino]-3-hydrazino-3-oxo-propyl] acetate
CAS Name: acetic acid [2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-hydrazinyl-3-oxopropyl] ester
IUPAC NAME: [2-[(2-amino-3-phenylpropanoyl)amino]-3-hydrazinyl-3-oxopropyl] acetate
SYSTEMATIC NAME: [2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-diazanyl-3-oxidanylidene-propyl] ethanoate
MOLECULAR FORMULA: C14H20N4O4
MOLECULAR WEIGHT: 308.333
SMILES: CC(=O)OCC(C(=O)NN)NC(=O)C(CC1=CC=CC=C1)N
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Product OPENEYE NAME: 2-amino-N-(2-hydrazino-1-methyl-2-oxo-ethyl)propanamide dihydrobromide
CAS Name: 2-amino-N-(1-hydrazinyl-1-oxopropan-2-yl)propanamide dihydrobromide
IUPAC NAME: 2-amino-N-(1-hydrazinyl-1-oxopropan-2-yl)propanamide dihydrobromide
SYSTEMATIC NAME: 2-azanyl-N-(1-diazanyl-1-oxidanylidene-propan-2-yl)propanamide dihydrobromide
MOLECULAR FORMULA: C6H16Br2N4O2
MOLECULAR WEIGHT: 336.02484
SMILES: CC(C(=O)NC(C)C(=O)NN)N.Br.Br
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Product OPENEYE NAME: benzaldehyde; nitrous hydrazide; dihydrobromide
CAS Name: benzaldehyde; nitrous hydrazide; dihydrobromide
IUPAC NAME: benzaldehyde; nitrous hydrazide; dihydrobromide
SYSTEMATIC NAME: benzaldehyde; nitrous hydrazide; dihydrobromide
MOLECULAR FORMULA: C7H11Br2N3O2
MOLECULAR WEIGHT: 328.98914
SMILES: C1=CC=C(C=C1)C=O.NNN=O.Br.Br
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Product OPENEYE NAME: 2-amino-N-(2-hydrazino-2-oxo-ethyl)-3-phenyl-propanamide dihydrobromide
CAS Name: 2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-phenylpropanamide dihydrobromide
IUPAC NAME: 2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-phenylpropanamide dihydrobromide
SYSTEMATIC NAME: 2-azanyl-N-(2-diazanyl-2-oxidanylidene-ethyl)-3-phenyl-propanamide dihydrobromide
MOLECULAR FORMULA: C11H18Br2N4O2
MOLECULAR WEIGHT: 398.09422
SMILES: C1=CC=C(C=C1)CC(C(=O)NCC(=O)NN)N.Br.Br
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Product OPENEYE NAME: 2-amino-N-(2-hydrazino-2-oxo-ethyl)-3-phenyl-propanamide
CAS Name: 2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-phenylpropanamide
IUPAC NAME: 2-amino-N-(2-hydrazinyl-2-oxoethyl)-3-phenylpropanamide
SYSTEMATIC NAME: 2-azanyl-N-(2-diazanyl-2-oxidanylidene-ethyl)-3-phenyl-propanamide
MOLECULAR FORMULA: C11H16N4O2
MOLECULAR WEIGHT: 236.27034
SMILES: C1=CC=C(C=C1)CC(C(=O)NCC(=O)NN)N
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Product OPENEYE NAME: 2-anilino-N-(2-hydrazino-2-oxo-ethyl)propanamide
CAS Name: 2-anilino-N-(2-hydrazinyl-2-oxoethyl)propanamide
IUPAC NAME: 2-anilino-N-(2-hydrazinyl-2-oxoethyl)propanamide
SYSTEMATIC NAME: N-(2-diazanyl-2-oxidanylidene-ethyl)-2-phenylazanyl-propanamide
MOLECULAR FORMULA: C11H16N4O2
MOLECULAR WEIGHT: 236.27034
SMILES: CC(C(=O)NCC(=O)NN)NC1=CC=CC=C1
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Product OPENEYE NAME: 2-amino-N-(1-benzyl-2-hydrazino-2-oxo-ethyl)-3-phenyl-propanamide
CAS Name: 2-amino-N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
IUPAC NAME: 2-amino-N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
SYSTEMATIC NAME: 2-azanyl-N-(1-diazanyl-1-oxidanylidene-3-phenyl-propan-2-yl)-3-phenyl-propanamide
MOLECULAR FORMULA: C18H22N4O2
MOLECULAR WEIGHT: 326.39288
SMILES: C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)NN)N
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Product OPENEYE NAME: 2-aminopropanehydrazide; 2-aminopropanoic acid
CAS Name: 2-aminopropanehydrazide; 2-aminopropanoic acid
IUPAC NAME: 2-aminopropanehydrazide; 2-aminopropanoic acid
SYSTEMATIC NAME: 2-azanylpropanehydrazide; 2-azanylpropanoic acid
MOLECULAR FORMULA: C6H16N4O3
MOLECULAR WEIGHT: 192.21624
SMILES: CC(C(=O)NN)N.CC(C(=O)O)N
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Product OPENEYE NAME: 2-acetamido-3-hydroxy-propanoic acid; 2-[(2-aminoacetyl)amino]acetic acid
CAS Name: 2-acetamido-3-hydroxypropanoic acid; 2-[(2-amino-1-oxoethyl)amino]acetic acid
IUPAC NAME: 2-acetamido-3-hydroxypropanoic acid; 2-[(2-aminoacetyl)amino]acetic acid
SYSTEMATIC NAME: 2-acetamido-3-oxidanyl-propanoic acid; 2-(2-azanylethanoylamino)ethanoic acid
MOLECULAR FORMULA: C9H17N3O7
MOLECULAR WEIGHT: 279.24718
SMILES: CC(=O)NC(CO)C(=O)O.C(C(=O)NCC(=O)O)N
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Product OPENEYE NAME: 2-amino-3-phenyl-propanehydrazide dihydrobromide
CAS Name: 2-amino-3-phenylpropanehydrazide dihydrobromide
IUPAC NAME: 2-amino-3-phenylpropanehydrazide dihydrobromide
SYSTEMATIC NAME: 2-azanyl-3-phenyl-propanehydrazide dihydrobromide
MOLECULAR FORMULA: C9H15Br2N3O
MOLECULAR WEIGHT: 341.0429
SMILES: C1=CC=C(C=C1)CC(C(=O)NN)N.Br.Br
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