3-methyl-5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 3-methyl-5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 3-methyl-5-(3-nitroanilino)-5-oxo-pentanoic acid CAS Name: 3-methyl-5-(3-nitroanilino)-5-oxopentanoic acid IUPAC Name: 3-methyl-5-(3-nitroanilino)-5-oxopentanoic acid Traditional Name: 5-keto-3-methyl-5-(3-nitroanilino)valeric acid Formula: C12H14N2O5 MolecularWeight: 266.24996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CC(CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C12H14N2O5/c1-8(6-12(16)17)5-11(15)13-9-3-2-4-10(7-9)14(18)19/h2-4,7-8H,5-6H2,1H3,(H,13,15)(H,16,17)