[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)sulfonylamino]ethanoate

Systemtic Name: [2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)sulfonylamino]ethanoate Openeye Name: [2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl] 2-[(4-bromophenyl)sulfonylamino]acetate CAS Name: 2-[(4-bromophenyl)sulfonylamino]acetic acid [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(4-bromophenyl)sulfonylamino]acetate Traditional Name: 2-(brosylamino)acetic acid [2-keto-2-(4-methoxy-2-nitro-anilino)ethyl] ester Formula: C17H16BrN3O8S MolecularWeight: 502.29324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)COC(=O)CNS(=O)(=O)C2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H16BrN3O8S/c1-28-12-4-7-14(15(8-12)21(24)25)20-16(22)10-29-17(23)9-19-30(26,27)13-5-2-11(18)3-6-13/h2-8,19H,9-10H2,1H3,(H,20,22)