5-[1-(4-aminophenyl)-4-oxidanyl-4-oxidanylidene-butyl]-2-azanyl-benzoic acid

Systemtic Name: 5-[1-(4-aminophenyl)-4-oxidanyl-4-oxidanylidene-butyl]-2-azanyl-benzoic acid Openeye Name: 2-amino-5-[1-(4-aminophenyl)-4-hydroxy-4-oxo-butyl]benzoic acid CAS Name: 2-amino-5-[1-(4-aminophenyl)-4-hydroxy-4-oxobutyl]benzoic acid IUPAC Name: 2-amino-5-[1-(4-aminophenyl)-4-hydroxy-4-oxobutyl]benzoic acid Traditional Name: 2-amino-5-[1-(4-aminophenyl)-4-hydroxy-4-keto-butyl]benzoic acid Formula: C17H18N2O4 MolecularWeight: 314.33582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CCC(=O)O)C2=CC(=C(C=C2)N)C(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1C(CCC(=O)O)C2=CC(=C(C=C2)N)C(=O)O)N

InChI

InChI=1S/C17H18N2O4/c18-12-4-1-10(2-5-12)13(6-8-16(20)21)11-3-7-15(19)14(9-11)17(22)23/h1-5,7,9,13H,6,8,18-19H2,(H,20,21)(H,22,23)