4-[[3-chloranyl-4-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-chloranyl-4-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-chloro-4-[(4-hydroxy-4-oxo-butanoyl)amino]anilino]-4-oxo-butanoic acid CAS Name: 4-[3-chloro-4-[(4-hydroxy-1,4-dioxobutyl)amino]anilino]-4-oxobutanoic acid IUPAC Name: 4-[3-chloro-4-[(4-hydroxy-4-oxobutanoyl)amino]anilino]-4-oxobutanoic acid Traditional Name: 4-[3-chloro-4-[(4-hydroxy-4-keto-butanoyl)amino]anilino]-4-keto-butyric acid Formula: C14H15ClN2O6 MolecularWeight: 342.7317

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCC(=O)O)Cl)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCC(=O)O)Cl)NC(=O)CCC(=O)O

InChI

InChI=1S/C14H15ClN2O6/c15-9-7-8(16-11(18)3-5-13(20)21)1-2-10(9)17-12(19)4-6-14(22)23/h1-2,7H,3-6H2,(H,16,18)(H,17,19)(H,20,21)(H,22,23)