6-[(3-nitrophenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(3-nitrophenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(3-nitroanilino)-6-oxo-hexanoic acid CAS Name: 6-(3-nitroanilino)-6-oxohexanoic acid IUPAC Name: 6-(3-nitroanilino)-6-oxohexanoic acid Traditional Name: 6-keto-6-(3-nitroanilino)hexanoic acid Formula: C12H14N2O5 MolecularWeight: 266.24996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5/c15-11(6-1-2-7-12(16)17)13-9-4-3-5-10(8-9)14(18)19/h3-5,8H,1-2,6-7H2,(H,13,15)(H,16,17)