4-methyl-5-(2-nitrophenyl)-3-oxidanylidene-pentanoate

Systemtic Name: 4-methyl-5-(2-nitrophenyl)-3-oxidanylidene-pentanoate Openeye Name: 4-methyl-5-(2-nitrophenyl)-3-oxo-pentanoate CAS Name: 4-methyl-5-(2-nitrophenyl)-3-oxopentanoate IUPAC Name: 4-methyl-5-(2-nitrophenyl)-3-oxopentanoate Traditional Name: 3-keto-4-methyl-5-(2-nitrophenyl)valerate Formula: C12H12NO5- MolecularWeight: 250.22738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1[N+](=O)[O-])C(=O)CC(=O)[O-]

Isomeric SMILES

CC(CC1=CC=CC=C1[N+](=O)[O-])C(=O)CC(=O)[O-]

InChI

InChI=1S/C12H13NO5/c1-8(11(14)7-12(15)16)6-9-4-2-3-5-10(9)13(17)18/h2-5,8H,6-7H2,1H3,(H,15,16)/p-1