Monday, August 5, 2013

All Chemical Compounds Information




Product OPENEYE NAME: isopropyl 2-(N-(2-methoxyacetyl)-2,6-dimethyl-3-nitro-anilino)propanoate
CAS Name: 2-(N-(2-methoxy-1-oxoethyl)-2,6-dimethyl-3-nitroanilino)propanoic acid propan-2-yl ester
IUPAC NAME: propan-2-yl 2-(N-(2-methoxyacetyl)-2,6-dimethyl-3-nitroanilino)propanoate
SYSTEMATIC NAME: propan-2-yl 2-[(2,6-dimethyl-3-nitro-phenyl)-(2-methoxyethanoyl)amino]propanoate
MOLECULAR FORMULA: C17H24N2O6
MOLECULAR WEIGHT: 352.38226
SMILES: CC1=C(C(=C(C=C1)[N+](=O)[O-])C)N(C(C)C(=O)OC(C)C)C(=O)COC
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Product OPENEYE NAME: methyl 2-[N-(2-furyl)-2-methyl-6-nitro-anilino]propanoate
CAS Name: 2-[N-(2-furanyl)-2-methyl-6-nitroanilino]propanoic acid methyl ester
IUPAC NAME: methyl 2-[N-(furan-2-yl)-2-methyl-6-nitroanilino]propanoate
SYSTEMATIC NAME: methyl 2-[furan-2-yl-(2-methyl-6-nitro-phenyl)amino]propanoate
MOLECULAR FORMULA: C15H16N2O5
MOLECULAR WEIGHT: 304.29794
SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])N(C2=CC=CO2)C(C)C(=O)OC
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Product OPENEYE NAME: 2-methoxy-N-(2-nitro-1-naphthyl)acetamide
CAS Name: 2-methoxy-N-(2-nitro-1-naphthalenyl)acetamide
IUPAC NAME: 2-methoxy-N-(2-nitronaphthalen-1-yl)acetamide
SYSTEMATIC NAME: 2-methoxy-N-(2-nitronaphthalen-1-yl)ethanamide
MOLECULAR FORMULA: C13H12N2O4
MOLECULAR WEIGHT: 260.24538
SMILES: COCC(=O)NC1=C(C=CC2=CC=CC=C21)[N+](=O)[O-]
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Product OPENEYE NAME: methyl 2-[(2-nitro-1-naphthyl)-tetrahydrofuran-2-yl-amino]propanoate
CAS Name: 2-[(2-nitro-1-naphthalenyl)-(2-oxolanyl)amino]propanoic acid methyl ester
IUPAC NAME: methyl 2-[(2-nitronaphthalen-1-yl)-(oxolan-2-yl)amino]propanoate
SYSTEMATIC NAME: methyl 2-[(2-nitronaphthalen-1-yl)-(oxolan-2-yl)amino]propanoate
MOLECULAR FORMULA: C18H20N2O5
MOLECULAR WEIGHT: 344.3618
SMILES: CC(C(=O)OC)N(C1CCCO1)C2=C(C=CC3=CC=CC=C32)[N+](=O)[O-]
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Product OPENEYE NAME: methyl 2-[2-furyl-(2-nitro-1-naphthyl)amino]propanoate
CAS Name: 2-[2-furanyl-(2-nitro-1-naphthalenyl)amino]propanoic acid methyl ester
IUPAC NAME: methyl 2-[furan-2-yl-(2-nitronaphthalen-1-yl)amino]propanoate
SYSTEMATIC NAME: methyl 2-[furan-2-yl-(2-nitronaphthalen-1-yl)amino]propanoate
MOLECULAR FORMULA: C18H16N2O5
MOLECULAR WEIGHT: 340.33004
SMILES: CC(C(=O)OC)N(C1=CC=CO1)C2=C(C=CC3=CC=CC=C32)[N+](=O)[O-]
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Product OPENEYE NAME: ethyl 2-[6-(2-chlorophenoxy)-2-oxo-1,3-benzothiazol-3-yl]acetate
CAS Name: 2-[6-(2-chlorophenoxy)-2-oxo-1,3-benzothiazol-3-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[6-(2-chlorophenoxy)-2-oxo-1,3-benzothiazol-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[6-(2-chloranylphenoxy)-2-oxidanylidene-1,3-benzothiazol-3-yl]ethanoate
MOLECULAR FORMULA: C17H14ClNO4S
MOLECULAR WEIGHT: 363.81536
SMILES: CCOC(=O)CN1C2=C(C=C(C=C2)OC3=CC=CC=C3Cl)SC1=O
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Product OPENEYE NAME: N-[(3-chloro-4-phenoxy-phenyl)carbamothioyl]benzamide
CAS Name: N-[(3-chloro-4-phenoxyanilino)-sulfanylidenemethyl]benzamide
IUPAC NAME: N-[(3-chloro-4-phenoxyphenyl)carbamothioyl]benzamide
SYSTEMATIC NAME: N-[(3-chloranyl-4-phenoxy-phenyl)carbamothioyl]benzamide
MOLECULAR FORMULA: C20H15ClN2O2S
MOLECULAR WEIGHT: 382.8633
SMILES: C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC3=CC=CC=C3)Cl
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Product OPENEYE NAME: 7-chloro-6-phenyl-1,3-benzothiazol-2-amine
CAS Name: 7-chloro-6-phenyl-1,3-benzothiazol-2-amine
IUPAC NAME: 7-chloro-6-phenyl-1,3-benzothiazol-2-amine
SYSTEMATIC NAME: 7-chloranyl-6-phenyl-1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C13H9ClN2S
MOLECULAR WEIGHT: 260.74196
SMILES: C1=CC=C(C=C1)C2=C(C3=C(C=C2)N=C(S3)N)Cl
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Product OPENEYE NAME: 2-(6-chloro-2,3-dioxo-indolin-1-yl)acetic acid
CAS Name: 2-(6-chloro-2,3-dioxo-1-indolyl)acetic acid
IUPAC NAME: 2-(6-chloro-2,3-dioxoindol-1-yl)acetic acid
SYSTEMATIC NAME: 2-[6-chloranyl-2,3-bis(oxidanylidene)indol-1-yl]ethanoic acid
MOLECULAR FORMULA: C10H6ClNO4
MOLECULAR WEIGHT: 239.61194
SMILES: C1=CC2=C(C=C1Cl)N(C(=O)C2=O)CC(=O)O
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Product OPENEYE NAME: N-[(3-chloro-4-phenyl-phenyl)carbamothioyl]benzamide
CAS Name: N-[(3-chloro-4-phenylanilino)-sulfanylidenemethyl]benzamide
IUPAC NAME: N-[(3-chloro-4-phenylphenyl)carbamothioyl]benzamide
SYSTEMATIC NAME: N-[(3-chloranyl-4-phenyl-phenyl)carbamothioyl]benzamide
MOLECULAR FORMULA: C20H15ClN2OS
MOLECULAR WEIGHT: 366.8639
SMILES: C1=CC=C(C=C1)C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC=C3)Cl
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Product OPENEYE NAME: 2-(6-chloro-1-ethyl-2-oxo-5-phenyl-indolin-1-ium-1-yl)acetate
CAS Name: 2-(6-chloro-1-ethyl-2-oxo-5-phenyl-3H-indol-1-ium-1-yl)acetate
IUPAC NAME: 2-(6-chloro-1-ethyl-2-oxo-5-phenyl-3H-indol-1-ium-1-yl)acetate
SYSTEMATIC NAME: 2-(6-chloranyl-1-ethyl-2-oxidanylidene-5-phenyl-3H-indol-1-ium-1-yl)ethanoate
MOLECULAR FORMULA: C18H16ClNO3
MOLECULAR WEIGHT: 329.77754
SMILES: CC[N+]1(C(=O)CC2=C1C=C(C(=C2)C3=CC=CC=C3)Cl)CC(=O)[O-]
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Product OPENEYE NAME: 2-(6-chloro-1-ethyl-2-oxo-5-phenyl-indolin-1-ium-1-yl)acetic acid
CAS Name: 2-(6-chloro-1-ethyl-2-oxo-5-phenyl-3H-indol-1-ium-1-yl)acetic acid
IUPAC NAME: 2-(6-chloro-1-ethyl-2-oxo-5-phenyl-3H-indol-1-ium-1-yl)acetic acid
SYSTEMATIC NAME: 2-(6-chloranyl-1-ethyl-2-oxidanylidene-5-phenyl-3H-indol-1-ium-1-yl)ethanoic acid
MOLECULAR FORMULA: C18H17ClNO3+
MOLECULAR WEIGHT: 330.78548
SMILES: CC[N+]1(C(=O)CC2=C1C=C(C(=C2)C3=CC=CC=C3)Cl)CC(=O)O
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Product OPENEYE NAME: 5-chloro-6-phenoxy-1,3-benzothiazol-2-amine
CAS Name: 5-chloro-6-phenoxy-1,3-benzothiazol-2-amine
IUPAC NAME: 5-chloro-6-phenoxy-1,3-benzothiazol-2-amine
SYSTEMATIC NAME: 5-chloranyl-6-phenoxy-1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C13H9ClN2OS
MOLECULAR WEIGHT: 276.74136
SMILES: C1=CC=C(C=C1)OC2=C(C=C3C(=C2)SC(=N3)N)Cl
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Product OPENEYE NAME: 2-bromo-6-phenoxy-1,3-benzothiazole
CAS Name: 2-bromo-6-phenoxy-1,3-benzothiazole
IUPAC NAME: 2-bromo-6-phenoxy-1,3-benzothiazole
SYSTEMATIC NAME: 2-bromanyl-6-phenoxy-1,3-benzothiazole
MOLECULAR FORMULA: C13H8BrNOS
MOLECULAR WEIGHT: 306.17772
SMILES: C1=CC=C(C=C1)OC2=CC3=C(C=C2)N=C(S3)Br
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Product OPENEYE NAME: 5-amino-6-chloro-indolin-2-one
CAS Name: 5-amino-6-chloro-1,3-dihydroindol-2-one
IUPAC NAME: 5-amino-6-chloro-1,3-dihydroindol-2-one
SYSTEMATIC NAME: 5-azanyl-6-chloranyl-1,3-dihydroindol-2-one
MOLECULAR FORMULA: C8H7ClN2O
MOLECULAR WEIGHT: 182.60698
SMILES: C1C2=CC(=C(C=C2NC1=O)Cl)N
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Product OPENEYE NAME: 2-(5-amino-6-chloro-1-ethyl-2-oxo-indolin-1-ium-1-yl)acetate
CAS Name: 2-(5-amino-6-chloro-1-ethyl-2-oxo-3H-indol-1-ium-1-yl)acetate
IUPAC NAME: 2-(5-amino-6-chloro-1-ethyl-2-oxo-3H-indol-1-ium-1-yl)acetate
SYSTEMATIC NAME: 2-(5-azanyl-6-chloranyl-1-ethyl-2-oxidanylidene-3H-indol-1-ium-1-yl)ethanoate
MOLECULAR FORMULA: C12H13ClN2O3
MOLECULAR WEIGHT: 268.69622
SMILES: CC[N+]1(C(=O)CC2=CC(=C(C=C21)Cl)N)CC(=O)[O-]
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Product OPENEYE NAME: 2-(5-amino-6-chloro-1-ethyl-2-oxo-indolin-1-ium-1-yl)acetic acid
CAS Name: 2-(5-amino-6-chloro-1-ethyl-2-oxo-3H-indol-1-ium-1-yl)acetic acid
IUPAC NAME: 2-(5-amino-6-chloro-1-ethyl-2-oxo-3H-indol-1-ium-1-yl)acetic acid
SYSTEMATIC NAME: 2-(5-azanyl-6-chloranyl-1-ethyl-2-oxidanylidene-3H-indol-1-ium-1-yl)ethanoic acid
MOLECULAR FORMULA: C12H14ClN2O3+
MOLECULAR WEIGHT: 269.70416
SMILES: CC[N+]1(C(=O)CC2=CC(=C(C=C21)Cl)N)CC(=O)O
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Product OPENEYE NAME: 2-bromo-6-(2-chlorophenoxy)-1,3-benzothiazole
CAS Name: 2-bromo-6-(2-chlorophenoxy)-1,3-benzothiazole
IUPAC NAME: 2-bromo-6-(2-chlorophenoxy)-1,3-benzothiazole
SYSTEMATIC NAME: 2-bromanyl-6-(2-chloranylphenoxy)-1,3-benzothiazole
MOLECULAR FORMULA: C13H7BrClNOS
MOLECULAR WEIGHT: 340.62278
SMILES: C1=CC=C(C(=C1)OC2=CC3=C(C=C2)N=C(S3)Br)Cl
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Product OPENEYE NAME: (3-chloro-4-phenyl-phenyl)thiourea
CAS Name: (3-chloro-4-phenylphenyl)thiourea
IUPAC NAME: (3-chloro-4-phenylphenyl)thiourea
SYSTEMATIC NAME: 1-(3-chloranyl-4-phenyl-phenyl)thiourea
MOLECULAR FORMULA: C13H11ClN2S
MOLECULAR WEIGHT: 262.75784
SMILES: C1=CC=C(C=C1)C2=C(C=C(C=C2)NC(=S)N)Cl
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Product OPENEYE NAME: 5-chloro-6-phenyl-1,3-benzothiazol-2-amine
CAS Name: 5-chloro-6-phenyl-1,3-benzothiazol-2-amine
IUPAC NAME: 5-chloro-6-phenyl-1,3-benzothiazol-2-amine
SYSTEMATIC NAME: 5-chloranyl-6-phenyl-1,3-benzothiazol-2-amine
MOLECULAR FORMULA: C13H9ClN2S
MOLECULAR WEIGHT: 260.74196
SMILES: C1=CC=C(C=C1)C2=CC3=C(C=C2Cl)N=C(S3)N
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