2-[[[5-azanyl-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]methyl]benzoic acid

Systemtic Name: 2-[[[5-azanyl-1-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]amino]methyl]benzoic acid Openeye Name: 2-[[(4-amino-1-carboxy-4-oxo-butyl)amino]methyl]benzoic acid CAS Name: 2-[[(5-amino-1-hydroxy-1,5-dioxopentan-2-yl)amino]methyl]benzoic acid IUPAC Name: 2-[[(5-amino-1-hydroxy-1,5-dioxopentan-2-yl)amino]methyl]benzoic acid Traditional Name: 2-[[(4-amino-1-carboxy-4-keto-butyl)amino]methyl]benzoic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c14-11(16)6-5-10(13(19)20)15-7-8-3-1-2-4-9(8)12(17)18/h1-4,10,15H,5-7H2,(H2,14,16)(H,17,18)(H,19,20)