ethyl 2-[3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(3-bromanyl-4,5-dimethoxy-phenyl)prop-2-enoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(3-bromo-4,5-dimethoxy-phenyl)prop-2-enoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate CAS Name: 2-[[3-(3-bromo-4,5-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-4-(3-nitrophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(3-bromo-4,5-dimethoxyphenyl)prop-2-enoylamino]-4-(3-nitrophenyl)thiophene-3-carboxylate Traditional Name: 2-[[3-(3-bromo-4,5-dimethoxy-phenyl)acryloyl]amino]-4-(3-nitrophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C24H21BrN2O7S MolecularWeight: 561.40174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C=CC3=CC(=C(C(=C3)Br)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C=CC3=CC(=C(C(=C3)Br)OC)OC

InChI

InChI=1S/C24H21BrN2O7S/c1-4-34-24(29)21-17(15-6-5-7-16(12-15)27(30)31)13-35-23(21)26-20(28)9-8-14-10-18(25)22(33-3)19(11-14)32-2/h5-13H,4H2,1-3H3,(H,26,28)