methyl 4-nitro-3-(1-oxidanylidene-3-phenyl-propan-2-yl)benzoate

Systemtic Name: methyl 4-nitro-3-(1-oxidanylidene-3-phenyl-propan-2-yl)benzoate Openeye Name: methyl 3-(1-benzyl-2-oxo-ethyl)-4-nitro-benzoate CAS Name: 4-nitro-3-(1-oxo-3-phenylpropan-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-nitro-3-(1-oxo-3-phenylpropan-2-yl)benzoate Traditional Name: 3-(1-benzyl-2-keto-ethyl)-4-nitro-benzoic acid methyl ester Formula: C17H15NO5 MolecularWeight: 313.3047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C(CC2=CC=CC=C2)C=O

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C(CC2=CC=CC=C2)C=O

InChI

InChI=1S/C17H15NO5/c1-23-17(20)13-7-8-16(18(21)22)15(10-13)14(11-19)9-12-5-3-2-4-6-12/h2-8,10-11,14H,9H2,1H3