4-[[4-[[4-[(4-oxidanidyl-4-oxidanylidene-butanoyl)amino]-3-oxidanyl-phenyl]methyl]-2-oxidanyl-phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-[[4-[(4-oxidanidyl-4-oxidanylidene-butanoyl)amino]-3-oxidanyl-phenyl]methyl]-2-oxidanyl-phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[2-hydroxy-4-[[3-hydroxy-4-[(4-oxido-4-oxo-butanoyl)amino]phenyl]methyl]anilino]-4-oxo-butanoate CAS Name: 4-[2-hydroxy-4-[[3-hydroxy-4-[(4-oxido-1,4-dioxobutyl)amino]phenyl]methyl]anilino]-4-oxobutanoate IUPAC Name: 4-[2-hydroxy-4-[[3-hydroxy-4-[(4-oxido-4-oxobutanoyl)amino]phenyl]methyl]anilino]-4-oxobutanoate Traditional Name: 4-[2-hydroxy-4-[3-hydroxy-4-[(4-keto-4-oxido-butanoyl)amino]benzyl]anilino]-4-keto-butyrate Formula: C21H20N2O8-2 MolecularWeight: 428.3921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC2=CC(=C(C=C2)NC(=O)CCC(=O)[O-])O)O)NC(=O)CCC(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1CC2=CC(=C(C=C2)NC(=O)CCC(=O)[O-])O)O)NC(=O)CCC(=O)[O-]

InChI

InChI=1S/C21H22N2O8/c24-16-10-12(1-3-14(16)22-18(26)5-7-20(28)29)9-13-2-4-15(17(25)11-13)23-19(27)6-8-21(30)31/h1-4,10-11,24-25H,5-9H2,(H,22,26)(H,23,27)(H,28,29)(H,30,31)/p-2