Wednesday, November 28, 2012

All Chemical Compounds Information




Product OPENEYE NAME: ethyl 5-[3-(phenylcarbamoyloxy)prop-1-ynyl]pyridine-3-carboxylate
CAS Name: 5-[3-[anilino(oxo)methoxy]prop-1-ynyl]-3-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-[3-(phenylcarbamoyloxy)prop-1-ynyl]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 5-[3-(phenylcarbamoyloxy)prop-1-ynyl]pyridine-3-carboxylate
MOLECULAR FORMULA: C18H16N2O4
MOLECULAR WEIGHT: 324.33064
SMILES: CCOC(=O)C1=CN=CC(=C1)C#CCOC(=O)NC2=CC=CC=C2
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Product OPENEYE NAME: ethyl 5-[3-[[4-(trifluoromethoxy)phenyl]carbamoyloxy]prop-1-ynyl]pyridine-3-carboxylate
CAS Name: 5-[3-[oxo-[4-(trifluoromethoxy)anilino]methoxy]prop-1-ynyl]-3-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-[3-[[4-(trifluoromethoxy)phenyl]carbamoyloxy]prop-1-ynyl]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 5-[3-[[4-(trifluoromethyloxy)phenyl]carbamoyloxy]prop-1-ynyl]pyridine-3-carboxylate
MOLECULAR FORMULA: C19H15F3N2O5
MOLECULAR WEIGHT: 408.32801
SMILES: CCOC(=O)C1=CN=CC(=C1)C#CCOC(=O)NC2=CC=C(C=C2)OC(F)(F)F
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Product OPENEYE NAME: 4-chloro-N-[4-methoxy-6-methyl-2-(trifluoromethyl)-5-quinolyl]benzamide
CAS Name: 4-chloro-N-[4-methoxy-6-methyl-2-(trifluoromethyl)-5-quinolinyl]benzamide
IUPAC NAME: 4-chloro-N-[4-methoxy-6-methyl-2-(trifluoromethyl)quinolin-5-yl]benzamide
SYSTEMATIC NAME: 4-chloranyl-N-[4-methoxy-6-methyl-2-(trifluoromethyl)quinolin-5-yl]benzamide
MOLECULAR FORMULA: C19H14ClF3N2O2
MOLECULAR WEIGHT: 394.77487
SMILES: CC1=C(C2=C(C=C1)N=C(C=C2OC)C(F)(F)F)NC(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 4-chloro-N'-[2-[(6-nitro-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl)sulfanyl]acetyl]benzohydrazide
CAS Name: 4-chloro-N'-[2-[(6-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)thio]-1-oxoethyl]benzohydrazide
IUPAC NAME: 4-chloro-N'-[2-[(6-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]acetyl]benzohydrazide
SYSTEMATIC NAME: 4-chloranyl-N'-[2-[[6-nitro-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]sulfanyl]ethanoyl]benzohydrazide
MOLECULAR FORMULA: C17H14ClN3O6S2
MOLECULAR WEIGHT: 455.89256
SMILES: C1C(C2=C(S1(=O)=O)C=C(C=C2)[N+](=O)[O-])SCC(=O)NNC(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: N'-[2-[(6-nitro-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl)sulfanyl]acetyl]benzohydrazide
CAS Name: N'-[2-[(6-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)thio]-1-oxoethyl]benzohydrazide
IUPAC NAME: N'-[2-[(6-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]acetyl]benzohydrazide
SYSTEMATIC NAME: N'-[2-[[6-nitro-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]sulfanyl]ethanoyl]benzohydrazide
MOLECULAR FORMULA: C17H15N3O6S2
MOLECULAR WEIGHT: 421.4475
SMILES: C1C(C2=C(S1(=O)=O)C=C(C=C2)[N+](=O)[O-])SCC(=O)NNC(=O)C3=CC=CC=C3
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Product OPENEYE NAME: 2-chloro-N'-[2-[(6-nitro-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl)sulfanyl]acetyl]benzohydrazide
CAS Name: 2-chloro-N'-[2-[(6-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)thio]-1-oxoethyl]benzohydrazide
IUPAC NAME: 2-chloro-N'-[2-[(6-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]acetyl]benzohydrazide
SYSTEMATIC NAME: 2-chloranyl-N'-[2-[[6-nitro-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]sulfanyl]ethanoyl]benzohydrazide
MOLECULAR FORMULA: C17H14ClN3O6S2
MOLECULAR WEIGHT: 455.89256
SMILES: C1C(C2=C(S1(=O)=O)C=C(C=C2)[N+](=O)[O-])SCC(=O)NNC(=O)C3=CC=CC=C3Cl
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Product OPENEYE NAME: N'-[2-[(6-nitro-1,1-dioxo-2,3-dihydrobenzothiophen-3-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
CAS Name: N'-[2-[(6-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)thio]-1-oxoethyl]-2-thiophenecarbohydrazide
IUPAC NAME: N'-[2-[(6-nitro-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)sulfanyl]acetyl]thiophene-2-carbohydrazide
SYSTEMATIC NAME: N'-[2-[[6-nitro-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]sulfanyl]ethanoyl]thiophene-2-carbohydrazide
MOLECULAR FORMULA: C15H13N3O6S3
MOLECULAR WEIGHT: 427.47522
SMILES: C1C(C2=C(S1(=O)=O)C=C(C=C2)[N+](=O)[O-])SCC(=O)NNC(=O)C3=CC=CS3
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Product OPENEYE NAME: 4-chloro-N'-[2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetyl]benzohydrazide
CAS Name: 4-chloro-N'-[1-oxo-2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]ethyl]benzohydrazide
IUPAC NAME: 4-chloro-N'-[2-[3-oxo-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]acetyl]benzohydrazide
SYSTEMATIC NAME: 4-chloranyl-N'-[2-[3-oxidanylidene-6-(trifluoromethyl)-1,4-benzothiazin-4-yl]ethanoyl]benzohydrazide
MOLECULAR FORMULA: C18H13ClF3N3O3S
MOLECULAR WEIGHT: 443.82733
SMILES: C1C(=O)N(C2=C(S1)C=CC(=C2)C(F)(F)F)CC(=O)NNC(=O)C3=CC=C(C=C3)Cl
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Product OPENEYE NAME: 2-[[4-[3-(dimethylamino)prop-1-ynyl]phenyl]methylene]propanedinitrile
CAS Name: 2-[[4-[3-(dimethylamino)prop-1-ynyl]phenyl]methylidene]propanedinitrile
IUPAC NAME: 2-[[4-[3-(dimethylamino)prop-1-ynyl]phenyl]methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[[4-[3-(dimethylamino)prop-1-ynyl]phenyl]methylidene]propanedinitrile
MOLECULAR FORMULA: C15H13N3
MOLECULAR WEIGHT: 235.28382
SMILES: CN(C)CC#CC1=CC=C(C=C1)C=C(C#N)C#N
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Product OPENEYE NAME: ethyl 5-[3-(4-chlorobenzoyl)oxyprop-1-ynyl]pyridine-3-carboxylate
CAS Name: 5-[3-[(4-chlorophenyl)-oxomethoxy]prop-1-ynyl]-3-pyridinecarboxylic acid ethyl ester
IUPAC NAME: ethyl 5-[3-(4-chlorobenzoyl)oxyprop-1-ynyl]pyridine-3-carboxylate
SYSTEMATIC NAME: ethyl 5-[3-(4-chlorophenyl)carbonyloxyprop-1-ynyl]pyridine-3-carboxylate
MOLECULAR FORMULA: C18H14ClNO4
MOLECULAR WEIGHT: 343.76106
SMILES: CCOC(=O)C1=CN=CC(=C1)C#CCOC(=O)C2=CC=C(C=C2)Cl
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