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

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-[(R)-ethylsulfinyl]benzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] 2-[(R)-ethylsulfinyl]benzoate CAS Name: 2-[(R)-ethylsulfinyl]benzoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] 2-[(R)-ethylsulfinyl]benzoate Traditional Name: 2-[(R)-ethylsulfinyl]benzoic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H15N3O6S MolecularWeight: 401.3932

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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)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O6S/c1-2-28(26)16-6-4-3-5-14(16)18(23)27-11-17(22)20-15-8-7-13(21(24)25)9-12(15)10-19/h3-9H,2,11H2,1H3,(H,20,22)/t28-/m1/s1