4-methyl-2-(2-nitrophenyl)-3-oxidanylidene-pentanoic acid

Systemtic Name: 4-methyl-2-(2-nitrophenyl)-3-oxidanylidene-pentanoic acid Openeye Name: 4-methyl-2-(2-nitrophenyl)-3-oxo-pentanoic acid CAS Name: 4-methyl-2-(2-nitrophenyl)-3-oxopentanoic acid IUPAC Name: 4-methyl-2-(2-nitrophenyl)-3-oxopentanoic acid Traditional Name: 3-keto-4-methyl-2-(2-nitrophenyl)valeric acid Formula: C12H13NO5 MolecularWeight: 251.23532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-7(2)11(14)10(12(15)16)8-5-3-4-6-9(8)13(17)18/h3-7,10H,1-2H3,(H,15,16)