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

Systemtic Name: ethyl 2-[(2-acetyloxy-5-nitro-phenyl)carbonylamino]-4-(4-bromophenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-acetoxy-5-nitro-benzoyl)amino]-4-(4-bromophenyl)thiophene-3-carboxylate CAS Name: 2-[[(2-acetyloxy-5-nitrophenyl)-oxomethyl]amino]-4-(4-bromophenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-acetyloxy-5-nitrobenzoyl)amino]-4-(4-bromophenyl)thiophene-3-carboxylate Traditional Name: 2-[(2-acetoxy-5-nitro-benzoyl)amino]-4-(4-bromophenyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H17BrN2O7S MolecularWeight: 533.34858

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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-])OC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN2O7S/c1-3-31-22(28)19-17(13-4-6-14(23)7-5-13)11-33-21(19)24-20(27)16-10-15(25(29)30)8-9-18(16)32-12(2)26/h4-11H,3H2,1-2H3,(H,24,27)