methyl 4-(4-bromophenyl)-2-[3-(3-nitrophenyl)prop-2-enoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-[3-(3-nitrophenyl)prop-2-enoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[3-(3-nitrophenyl)prop-2-enoylamino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[3-(3-nitrophenyl)prop-2-enoylamino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[3-(3-nitrophenyl)acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H15BrN2O5S MolecularWeight: 487.3232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN2O5S/c1-29-21(26)19-17(14-6-8-15(22)9-7-14)12-30-20(19)23-18(25)10-5-13-3-2-4-16(11-13)24(27)28/h2-12H,1H3,(H,23,25)