2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]benzene-1,3-dicarboxylic acid

Systemtic Name: 2-[(4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]benzene-1,3-dicarboxylic acid Openeye Name: 2-[(4-amino-5-hydroxy-5-oxo-pentanoyl)amino]benzene-1,3-dicarboxylic acid CAS Name: 2-[(4-amino-5-hydroxy-1,5-dioxopentyl)amino]benzene-1,3-dicarboxylic acid IUPAC Name: 2-[(4-amino-5-hydroxy-5-oxopentanoyl)amino]benzene-1,3-dicarboxylic acid Traditional Name: 2-[(4-amino-5-hydroxy-5-keto-pentanoyl)amino]isophthalic acid Formula: C13H14N2O7 MolecularWeight: 310.25946

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)O

InChI

InChI=1S/C13H14N2O7/c14-8(13(21)22)4-5-9(16)15-10-6(11(17)18)2-1-3-7(10)12(19)20/h1-3,8H,4-5,14H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)