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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC=C(C=C1)C(=O)O)C(=O)O

Isomeric SMILES

C/C(=C\C(=O)NC1=CC=C(C=C1)C(=O)O)/C(=O)O

InChI

InChI=1S/C12H11NO5/c1-7(11(15)16)6-10(14)13-9-4-2-8(3-5-9)12(17)18/h2-6H,1H3,(H,13,14)(H,15,16)(H,17,18)/b7-6+