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

Systemtic Name: [2-[(4-fluoranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-bromophenyl)sulfonylamino]ethanoate Openeye Name: [2-(4-fluoro-2-nitro-anilino)-2-oxo-ethyl] 2-[(4-bromophenyl)sulfonylamino]acetate CAS Name: 2-[(4-bromophenyl)sulfonylamino]acetic acid [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-2-nitroanilino)-2-oxoethyl] 2-[(4-bromophenyl)sulfonylamino]acetate Traditional Name: 2-(brosylamino)acetic acid [2-(4-fluoro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C16H13BrFN3O7S MolecularWeight: 490.257723

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1S(=O)(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1S(=O)(=O)NCC(=O)OCC(=O)NC2=C(C=C(C=C2)F)[N+](=O)[O-])Br

InChI

InChI=1S/C16H13BrFN3O7S/c17-10-1-4-12(5-2-10)29(26,27)19-8-16(23)28-9-15(22)20-13-6-3-11(18)7-14(13)21(24)25/h1-7,19H,8-9H2,(H,20,22)