ethyl 4-(4-bromophenyl)-2-[(5-nitro-2-oxidanyl-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[(5-nitro-2-oxidanyl-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[(2-hydroxy-5-nitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(2-hydroxy-5-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[(2-hydroxy-5-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(2-hydroxy-5-nitro-benzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H15BrN2O6S MolecularWeight: 491.3119

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15BrN2O6S/c1-2-29-20(26)17-15(11-3-5-12(21)6-4-11)10-30-19(17)22-18(25)14-9-13(23(27)28)7-8-16(14)24/h3-10,24H,2H2,1H3,(H,22,25)