[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylbutanoate

Systemtic Name: [1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-phenylbutanoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-phenylbutanoate CAS Name: 3-phenylbutanoic acid [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl] 3-phenylbutanoate Traditional Name: 3-phenylbutyric acid [2-keto-2-(2-methoxy-5-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=CC(=C1)[N+](=O)[O-])OC)C2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)OC(C)C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)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)21-17-12-16(22(25)26)9-10-18(17)27-3/h4-10,12-14H,11H2,1-3H3,(H,21,24)