ethyl 4-(4-bromophenyl)-2-[(4-chloranyl-3,5-dinitro-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[(4-chloranyl-3,5-dinitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[(4-chloro-3,5-dinitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(4-chloro-3,5-dinitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[(4-chloro-3,5-dinitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[(4-chloro-3,5-dinitro-benzoyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H13BrClN3O7S MolecularWeight: 554.75512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H13BrClN3O7S/c1-2-32-20(27)16-13(10-3-5-12(21)6-4-10)9-33-19(16)23-18(26)11-7-14(24(28)29)17(22)15(8-11)25(30)31/h3-9H,2H2,1H3,(H,23,26)