[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-[(R)-ethylsulfinyl]benzoate

Systemtic Name: [2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl] 2-[(R)-ethylsulfinyl]benzoate Openeye Name: [2-(2-nitroanilino)-2-oxo-ethyl] 2-[(R)-ethylsulfinyl]benzoate CAS Name: 2-[(R)-ethylsulfinyl]benzoic acid [2-(2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-nitroanilino)-2-oxoethyl] 2-[(R)-ethylsulfinyl]benzoate Traditional Name: 2-[(R)-ethylsulfinyl]benzoic acid [2-keto-2-(2-nitroanilino)ethyl] ester Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=CC=C1C(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC[S@@](=O)C1=CC=CC=C1C(=O)OCC(=O)NC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6S/c1-2-26(24)15-10-6-3-7-12(15)17(21)25-11-16(20)18-13-8-4-5-9-14(13)19(22)23/h3-10H,2,11H2,1H3,(H,18,20)/t26-/m1/s1