2-methylpropyl 2-nitro-3-oxidanylidene-3-phenyl-propanoate

Systemtic Name: 2-methylpropyl 2-nitro-3-oxidanylidene-3-phenyl-propanoate Openeye Name: isobutyl 2-nitro-3-oxo-3-phenyl-propanoate CAS Name: 2-nitro-3-oxo-3-phenylpropanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-nitro-3-oxo-3-phenylpropanoate Traditional Name: 3-keto-2-nitro-3-phenyl-propionic acid isobutyl ester Formula: C13H15NO5 MolecularWeight: 265.2619

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c1-9(2)8-19-13(16)11(14(17)18)12(15)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3