(phenylmethyl) 4-(2-nitronaphthalen-1-yl)-2-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) 4-(2-nitronaphthalen-1-yl)-2-oxidanylidene-butanoate Openeye Name: benzyl 4-(2-nitro-1-naphthyl)-2-oxo-butanoate CAS Name: 4-(2-nitro-1-naphthalenyl)-2-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(2-nitronaphthalen-1-yl)-2-oxobutanoate Traditional Name: 2-keto-4-(2-nitro-1-naphthyl)butyric acid benzyl ester Formula: C21H17NO5 MolecularWeight: 363.36338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(=O)CCC2=C(C=CC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(=O)CCC2=C(C=CC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C21H17NO5/c23-20(21(24)27-14-15-6-2-1-3-7-15)13-11-18-17-9-5-4-8-16(17)10-12-19(18)22(25)26/h1-10,12H,11,13-14H2