[(2R)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-2-(3-methylphenoxy)propanoate

Systemtic Name: [(2R)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-2-(3-methylphenoxy)propanoate Openeye Name: [(1R)-2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl] (2R)-2-(3-methylphenoxy)propanoate CAS Name: (2R)-2-(3-methylphenoxy)propanoic acid [(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] (2R)-2-(3-methylphenoxy)propanoate Traditional Name: (2R)-2-(3-methylphenoxy)propionic acid [(1R)-2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O7/c1-12-6-5-7-16(10-12)28-14(3)20(24)29-13(2)19(23)21-17-9-8-15(27-4)11-18(17)22(25)26/h5-11,13-14H,1-4H3,(H,21,23)/t13-,14-/m1/s1