2-[[(E)-4-oxidanylidenepent-2-en-2-yl]amino]benzoic acid

Systemtic Name: 2-[[(E)-4-oxidanylidenepent-2-en-2-yl]amino]benzoic acid Openeye Name: 2-[[(E)-1-methyl-3-oxo-but-1-enyl]amino]benzoic acid CAS Name: 2-[[(E)-4-oxopent-2-en-2-yl]amino]benzoic acid IUPAC Name: 2-[[(E)-4-oxopent-2-en-2-yl]amino]benzoic acid Traditional Name: 2-[[(E)-3-keto-1-methyl-but-1-enyl]amino]benzoic acid Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)C)NC1=CC=CC=C1C(=O)O

Isomeric SMILES

C/C(=C\C(=O)C)/NC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C12H13NO3/c1-8(7-9(2)14)13-11-6-4-3-5-10(11)12(15)16/h3-7,13H,1-2H3,(H,15,16)/b8-7+