(1-oxidanylidene-1-phenyl-propan-2-yl) 5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 5-(3-nitroanilino)-5-oxo-pentanoate CAS Name: 5-(3-nitroanilino)-5-oxopentanoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 5-(3-nitroanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(3-nitroanilino)valeric acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)OC(=O)CCCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)OC(=O)CCCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O6/c1-14(20(25)15-7-3-2-4-8-15)28-19(24)12-6-11-18(23)21-16-9-5-10-17(13-16)22(26)27/h2-5,7-10,13-14H,6,11-12H2,1H3,(H,21,23)