[2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(3-methylphenoxy)propanoate

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(3-methylphenoxy)propanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] (2R)-2-(3-methylphenoxy)propanoate CAS Name: (2R)-2-(3-methylphenoxy)propanoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate Traditional Name: (2R)-2-(3-methylphenoxy)propionic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=CC=C1)O[C@H](C)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C19H17N3O6/c1-12-4-3-5-16(8-12)28-13(2)19(24)27-11-18(23)21-17-7-6-15(22(25)26)9-14(17)10-20/h3-9,13H,11H2,1-2H3,(H,21,23)/t13-/m1/s1