[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)sulfonylamino]benzoate

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl] 2-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 2-[(4-bromophenyl)sulfonylamino]benzoic acid [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 2-(brosylamino)benzoic acid [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl] ester Formula: C23H20BrN3O8S MolecularWeight: 578.3892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Br)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)COC(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)Br)OC)[N+](=O)[O-]

InChI

InChI=1S/C23H20BrN3O8S/c1-14-11-20(27(30)31)21(34-2)12-19(14)25-22(28)13-35-23(29)17-5-3-4-6-18(17)26-36(32,33)16-9-7-15(24)8-10-16/h3-12,26H,13H2,1-2H3,(H,25,28)