3-[[[(Z)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]methyl]benzoic acid

Systemtic Name: 3-[[[(Z)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]methyl]benzoic acid Openeye Name: 3-[[[(Z)-4-hydroxy-4-oxo-but-2-enoyl]amino]methyl]benzoic acid CAS Name: 3-[[[(Z)-4-hydroxy-1,4-dioxobut-2-enyl]amino]methyl]benzoic acid IUPAC Name: 3-[[[(Z)-4-hydroxy-4-oxobut-2-enoyl]amino]methyl]benzoic acid Traditional Name: 3-[[[(Z)-4-hydroxy-4-keto-but-2-enoyl]amino]methyl]benzoic acid Formula: C12H11NO5 MolecularWeight: 249.21944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC(=C1)CNC(=O)/C=C\C(=O)O)C(=O)O

InChI

InChI=1S/C12H11NO5/c14-10(4-5-11(15)16)13-7-8-2-1-3-9(6-8)12(17)18/h1-6H,7H2,(H,13,14)(H,15,16)(H,17,18)/b5-4-