[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(methylsulfinylmethyl)benzoate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(methylsulfinylmethyl)benzoate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl] 3-(methylsulfinylmethyl)benzoate CAS Name: 3-(methylsulfinylmethyl)benzoic acid [2-(2-bromo-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl] 3-(methylsulfinylmethyl)benzoate Traditional Name: 3-(methylsulfinylmethyl)benzoic acid [2-(2-bromo-4-nitro-anilino)-2-keto-ethyl] ester Formula: C17H15BrN2O6S MolecularWeight: 455.2798

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CS(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C17H15BrN2O6S/c1-27(25)10-11-3-2-4-12(7-11)17(22)26-9-16(21)19-15-6-5-13(20(23)24)8-14(15)18/h2-8H,9-10H2,1H3,(H,19,21)