4-[azanyl-(1-oxidanyl-1-oxidanylidene-hexan-2-yl)amino]benzoic acid

Systemtic Name: 4-[azanyl-(1-oxidanyl-1-oxidanylidene-hexan-2-yl)amino]benzoic acid Openeye Name: 4-[amino(1-carboxypentyl)amino]benzoic acid CAS Name: 4-[amino-(1-hydroxy-1-oxohexan-2-yl)amino]benzoic acid IUPAC Name: 4-[amino-(1-hydroxy-1-oxohexan-2-yl)amino]benzoic acid Traditional Name: 4-[amino(1-carboxypentyl)amino]benzoic acid Formula: C13H18N2O4 MolecularWeight: 266.29302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)N(C1=CC=C(C=C1)C(=O)O)N

Isomeric SMILES

CCCCC(C(=O)O)N(C1=CC=C(C=C1)C(=O)O)N

InChI

InChI=1S/C13H18N2O4/c1-2-3-4-11(13(18)19)15(14)10-7-5-9(6-8-10)12(16)17/h5-8,11H,2-4,14H2,1H3,(H,16,17)(H,18,19)