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

Systemtic Name: [(2R)-1-[(4-methoxy-2-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (3R)-3-phenylbutanoate Openeye Name: [(1R)-2-(4-methoxy-2-nitro-anilino)-1-methyl-2-oxo-ethyl] (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid [(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid [(1R)-2-keto-2-(4-methoxy-2-nitro-anilino)-1-methyl-ethyl] ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC(C)C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

C[C@H](CC(=O)O[C@H](C)C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C20H22N2O6/c1-13(15-7-5-4-6-8-15)11-19(23)28-14(2)20(24)21-17-10-9-16(27-3)12-18(17)22(25)26/h4-10,12-14H,11H2,1-3H3,(H,21,24)/t13-,14-/m1/s1