[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3R)-3-phenylbutanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C19H20N2O6 MolecularWeight: 372.3719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O6/c1-13(14-6-4-3-5-7-14)10-19(23)27-12-18(22)20-16-11-15(21(24)25)8-9-17(16)26-2/h3-9,11,13H,10,12H2,1-2H3,(H,20,22)/t13-/m1/s1