[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-[(5-bromanylthiophen-2-yl)sulfonylamino]benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-[(5-bromo-2-thienyl)sulfonylamino]benzoate CAS Name: 4-[(5-bromo-2-thiophenyl)sulfonylamino]benzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-[(5-bromothiophen-2-yl)sulfonylamino]benzoate Traditional Name: 4-[(5-bromo-2-thienyl)sulfonylamino]benzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C20H16BrN3O7S2 MolecularWeight: 554.39094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C20H16BrN3O7S2/c1-12(19(25)22-15-3-2-4-16(11-15)24(27)28)31-20(26)13-5-7-14(8-6-13)23-33(29,30)18-10-9-17(21)32-18/h2-12,23H,1H3,(H,22,25)