methyl 3-[[2-nitro-2-(phenylsulfonyl)ethenyl]amino]benzoate

Systemtic Name: methyl 3-[[2-nitro-2-(phenylsulfonyl)ethenyl]amino]benzoate Openeye Name: methyl 3-[[2-(benzenesulfonyl)-2-nitro-vinyl]amino]benzoate CAS Name: 3-[[2-(benzenesulfonyl)-2-nitroethenyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(benzenesulfonyl)-2-nitroethenyl]amino]benzoate Traditional Name: 3-[(2-besyl-2-nitro-vinyl)amino]benzoic acid methyl ester Formula: C16H14N2O6S MolecularWeight: 362.35716

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC=C([N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC=C([N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H14N2O6S/c1-24-16(19)12-6-5-7-13(10-12)17-11-15(18(20)21)25(22,23)14-8-3-2-4-9-14/h2-11,17H,1H3