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

Systemtic Name: [(2R)-1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] (2R)-2-phenoxybutanoate Openeye Name: [(1R)-2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [(1R)-2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-ethyl] ester Formula: C20H22N2O7 MolecularWeight: 402.39788

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(C)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC2=CC=CC=C2

Isomeric SMILES

CC[C@H](C(=O)O[C@H](C)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)OC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O7/c1-4-17(29-15-8-6-5-7-9-15)20(24)28-13(2)19(23)21-16-12-14(22(25)26)10-11-18(16)27-3/h5-13,17H,4H2,1-3H3,(H,21,23)/t13-,17-/m1/s1