[nitro(phenyl)methyl] 4-oxidanylidene-2-phenyl-butanoate

Systemtic Name: [nitro(phenyl)methyl] 4-oxidanylidene-2-phenyl-butanoate Openeye Name: [nitro(phenyl)methyl] 4-oxo-2-phenyl-butanoate CAS Name: 4-oxo-2-phenylbutanoic acid [nitro(phenyl)methyl] ester IUPAC Name: [nitro(phenyl)methyl] 4-oxo-2-phenylbutanoate Traditional Name: 4-keto-2-phenyl-butyric acid [nitro(phenyl)methyl] ester Formula: C17H15NO5 MolecularWeight: 313.3047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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