[2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(R)-ethylsulfinyl]benzoate

Systemtic Name: [2-[(4-chloranyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(R)-ethylsulfinyl]benzoate Openeye Name: [2-(4-chloro-2-nitro-anilino)-2-oxo-ethyl] 2-[(R)-ethylsulfinyl]benzoate CAS Name: 2-[(R)-ethylsulfinyl]benzoic acid [2-(4-chloro-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-[(R)-ethylsulfinyl]benzoate Traditional Name: 2-[(R)-ethylsulfinyl]benzoic acid [2-(4-chloro-2-nitro-anilino)-2-keto-ethyl] ester Formula: C17H15ClN2O6S MolecularWeight: 410.8288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O6S/c1-2-27(25)15-6-4-3-5-12(15)17(22)26-10-16(21)19-13-8-7-11(18)9-14(13)20(23)24/h3-9H,2,10H2,1H3,(H,19,21)/t27-/m1/s1