[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(3-methylphenoxy)propanoate

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(3-methylphenoxy)propanoate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] (2R)-2-(3-methylphenoxy)propanoate CAS Name: (2R)-2-(3-methylphenoxy)propanoic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] (2R)-2-(3-methylphenoxy)propanoate Traditional Name: (2R)-2-(3-methylphenoxy)propionic acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(C)C(=O)OCC(=O)NC2=C(C=CC(=C2C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)O[C@H](C)C(=O)OCC(=O)NC2=C(C=CC(=C2C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O6/c1-12-6-5-7-16(10-12)28-15(4)20(24)27-11-18(23)21-19-14(3)13(2)8-9-17(19)22(25)26/h5-10,15H,11H2,1-4H3,(H,21,23)/t15-/m1/s1