2-[[6-[(2-carboxyphenyl)amino]-6-oxidanylidene-hexanoyl]amino]benzoic acid

Systemtic Name: 2-[[6-[(2-carboxyphenyl)amino]-6-oxidanylidene-hexanoyl]amino]benzoic acid Openeye Name: 2-[[6-(2-carboxyanilino)-6-oxo-hexanoyl]amino]benzoic acid CAS Name: 2-[[6-(2-carboxyanilino)-1,6-dioxohexyl]amino]benzoic acid IUPAC Name: 2-[[6-(2-carboxyanilino)-6-oxohexanoyl]amino]benzoic acid Traditional Name: 2-[[6-(2-carboxyanilino)-6-keto-hexanoyl]amino]benzoic acid Formula: C20H20N2O6 MolecularWeight: 384.3826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCCCC(=O)NC2=CC=CC=C2C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCCCC(=O)NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C20H20N2O6/c23-17(21-15-9-3-1-7-13(15)19(25)26)11-5-6-12-18(24)22-16-10-4-2-8-14(16)20(27)28/h1-4,7-10H,5-6,11-12H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)