4-[[4-[(4-carboxy-3-oxidanyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[4-[(4-carboxy-3-oxidanyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 4-[[4-(4-carboxy-3-hydroxy-anilino)-4-oxo-butanoyl]amino]-2-hydroxy-benzoic acid CAS Name: 4-[[4-(4-carboxy-3-hydroxyanilino)-1,4-dioxobutyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-[[4-(4-carboxy-3-hydroxyanilino)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid Traditional Name: 4-[[4-(4-carboxy-3-hydroxy-anilino)-4-keto-butanoyl]amino]-2-hydroxy-benzoic acid Formula: C18H16N2O8 MolecularWeight: 388.32824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCC(=O)NC2=CC(=C(C=C2)C(=O)O)O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCC(=O)NC2=CC(=C(C=C2)C(=O)O)O)O)C(=O)O

InChI

InChI=1S/C18H16N2O8/c21-13-7-9(1-3-11(13)17(25)26)19-15(23)5-6-16(24)20-10-2-4-12(18(27)28)14(22)8-10/h1-4,7-8,21-22H,5-6H2,(H,19,23)(H,20,24)(H,25,26)(H,27,28)