[(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: [(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-4-phenyl-butanoate Openeye Name: [(1R)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-oxo-4-phenyl-butanoate CAS Name: 4-oxo-4-phenylbutanoic acid [(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 4-oxo-4-phenylbutanoate Traditional Name: 4-keto-4-phenyl-butyric acid [(1R)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O7/c1-13(29-19(24)11-9-17(23)14-6-4-3-5-7-14)20(25)21-16-12-15(22(26)27)8-10-18(16)28-2/h3-8,10,12-13H,9,11H2,1-2H3,(H,21,25)/t13-/m1/s1