[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenylbutanoate

Systemtic Name: [2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenylbutanoate Openeye Name: [2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl] (2R)-2-phenylbutanoate CAS Name: (2R)-2-phenylbutanoic acid [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] (2R)-2-phenylbutanoate Traditional Name: (2R)-2-phenylbutyric acid [2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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