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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[(2,4-dinitrophenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[(2,4-dinitrobenzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(2,4-dinitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[(2,4-dinitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(2,4-dinitrobenzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H14BrN3O7S MolecularWeight: 520.31006

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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=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrN3O7S/c1-2-31-20(26)17-15(11-3-5-12(21)6-4-11)10-32-19(17)22-18(25)14-8-7-13(23(27)28)9-16(14)24(29)30/h3-10H,2H2,1H3,(H,22,25)