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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(=O)CCC2=C(C3=CC=CC=C3C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(=O)CCC2=C(C3=CC=CC=C3C=C2)[N+](=O)[O-]

InChI

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