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

Systemtic Name: 4-[[4-[[4-(hydroxymethyloxy)-3-oxidanyl-phenyl]amino]-4-oxidanylidene-butanoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[[4-[3-hydroxy-4-(hydroxymethoxy)anilino]-4-oxo-butanoyl]amino]benzoic acid CAS Name: 2-hydroxy-4-[[4-[3-hydroxy-4-(hydroxymethoxy)anilino]-1,4-dioxobutyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[[4-[3-hydroxy-4-(hydroxymethoxy)anilino]-4-oxobutanoyl]amino]benzoic acid Traditional Name: 2-hydroxy-4-[[4-(3-hydroxy-4-methyloloxy-anilino)-4-keto-butanoyl]amino]benzoic acid Formula: C18H18N2O8 MolecularWeight: 390.34412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O8/c21-9-28-15-4-2-11(8-14(15)23)20-17(25)6-5-16(24)19-10-1-3-12(18(26)27)13(22)7-10/h1-4,7-8,21-23H,5-6,9H2,(H,19,24)(H,20,25)(H,26,27)