4-[(E)-2-acetamido-3-oxidanyl-3-oxidanylidene-prop-1-enyl]benzoic acid

Systemtic Name: 4-[(E)-2-acetamido-3-oxidanyl-3-oxidanylidene-prop-1-enyl]benzoic acid Openeye Name: 4-[(E)-2-acetamido-3-hydroxy-3-oxo-prop-1-enyl]benzoic acid CAS Name: 4-[(E)-2-acetamido-3-hydroxy-3-oxoprop-1-enyl]benzoic acid IUPAC Name: 4-[(E)-2-acetamido-3-hydroxy-3-oxoprop-1-enyl]benzoic acid Traditional Name: 4-[(E)-2-acetamido-3-hydroxy-3-keto-prop-1-enyl]benzoic acid Formula: C12H11NO5 MolecularWeight: 249.21944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)N/C(=C/C1=CC=C(C=C1)C(=O)O)/C(=O)O

InChI

InChI=1S/C12H11NO5/c1-7(14)13-10(12(17)18)6-8-2-4-9(5-3-8)11(15)16/h2-6H,1H3,(H,13,14)(H,15,16)(H,17,18)/b10-6+