methyl 4-(4-bromophenyl)-2-[(3,5-dinitrophenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-[(3,5-dinitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(3,5-dinitrobenzoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C19H12BrN3O7S MolecularWeight: 506.28348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12BrN3O7S/c1-30-19(25)16-15(10-2-4-12(20)5-3-10)9-31-18(16)21-17(24)11-6-13(22(26)27)8-14(7-11)23(28)29/h2-9H,1H3,(H,21,24)