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

Systemtic Name: [2-[(2-cyano-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-chloranylphenoxy)propanoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-2-oxo-ethyl] (2R)-2-(4-chlorophenoxy)propanoate CAS Name: (2R)-2-(4-chlorophenoxy)propanoic acid [2-(2-cyano-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyano-4-nitroanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate Traditional Name: (2R)-2-(4-chlorophenoxy)propionic acid [2-(2-cyano-4-nitro-anilino)-2-keto-ethyl] ester Formula: C18H14ClN3O6 MolecularWeight: 403.77326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N)OC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H14ClN3O6/c1-11(28-15-5-2-13(19)3-6-15)18(24)27-10-17(23)21-16-7-4-14(22(25)26)8-12(16)9-20/h2-8,11H,10H2,1H3,(H,21,23)/t11-/m1/s1