(phenylmethyl) 4-(2-nitrophenyl)-2-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) 4-(2-nitrophenyl)-2-oxidanylidene-butanoate Openeye Name: benzyl 4-(2-nitrophenyl)-2-oxo-butanoate CAS Name: 4-(2-nitrophenyl)-2-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-nitrophenyl)-2-oxobutanoate Traditional Name: 2-keto-4-(2-nitrophenyl)butyric acid benzyl ester Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(=O)CCC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(=O)CCC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C17H15NO5/c19-16(17(20)23-12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-15(14)18(21)22/h1-9H,10-12H2