4-[(3-carboxy-3-methanoyloxy-5-oxidanylidene-pentanoyl)amino]benzoic acid

Systemtic Name: 4-[(3-carboxy-3-methanoyloxy-5-oxidanylidene-pentanoyl)amino]benzoic acid Openeye Name: 4-[(3-carboxy-3-formyloxy-5-oxo-pentanoyl)amino]benzoic acid CAS Name: 4-[(3-carboxy-3-formyloxy-1,5-dioxopentyl)amino]benzoic acid IUPAC Name: 4-[(3-carboxy-3-formyloxy-5-oxopentanoyl)amino]benzoic acid Traditional Name: 4-[(3-carboxy-3-formyloxy-5-keto-pentanoyl)amino]benzoic acid Formula: C14H13NO8 MolecularWeight: 323.25492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CC(CC=O)(C(=O)O)OC=O

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CC(CC=O)(C(=O)O)OC=O

InChI

InChI=1S/C14H13NO8/c16-6-5-14(13(21)22,23-8-17)7-11(18)15-10-3-1-9(2-4-10)12(19)20/h1-4,6,8H,5,7H2,(H,15,18)(H,19,20)(H,21,22)