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

Systemtic Name: 5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(3-nitroanilino)-5-oxo-pentanoic acid CAS Name: 5-(3-nitroanilino)-5-oxopentanoic acid IUPAC Name: 5-(3-nitroanilino)-5-oxopentanoic acid Traditional Name: 5-keto-5-(3-nitroanilino)valeric acid Formula: C11H12N2O5 MolecularWeight: 252.22338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCCC(=O)O

InChI

InChI=1S/C11H12N2O5/c14-10(5-2-6-11(15)16)12-8-3-1-4-9(7-8)13(17)18/h1,3-4,7H,2,5-6H2,(H,12,14)(H,15,16)