propan-2-yl 4-(3-bromophenyl)-2-[(4-chloranyl-2-nitro-phenyl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: propan-2-yl 4-(3-bromophenyl)-2-[(4-chloranyl-2-nitro-phenyl)carbonylamino]thiophene-3-carboxylate Openeye Name: isopropyl 4-(3-bromophenyl)-2-[(4-chloro-2-nitro-benzoyl)amino]thiophene-3-carboxylate CAS Name: 4-(3-bromophenyl)-2-[[(4-chloro-2-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3-bromophenyl)-2-[(4-chloro-2-nitrobenzoyl)amino]thiophene-3-carboxylate Traditional Name: 4-(3-bromophenyl)-2-[(4-chloro-2-nitro-benzoyl)amino]thiophene-3-carboxylic acid isopropyl ester Formula: C21H16BrClN2O5S MolecularWeight: 523.78414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrClN2O5S/c1-11(2)30-21(27)18-16(12-4-3-5-13(22)8-12)10-31-20(18)24-19(26)15-7-6-14(23)9-17(15)25(28)29/h3-11H,1-2H3,(H,24,26)