4-[[(E)-2-methylpent-2-enoyl]amino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[[(E)-2-methylpent-2-enoyl]amino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-[[(E)-2-methylpent-2-enoyl]amino]benzoic acid CAS Name: 2-hydroxy-4-[[(E)-2-methyl-1-oxopent-2-enyl]amino]benzoic acid IUPAC Name: 2-hydroxy-4-[[(E)-2-methylpent-2-enoyl]amino]benzoic acid Traditional Name: 2-hydroxy-4-[[(E)-2-methylpent-2-enoyl]amino]benzoic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-3-4-8(2)12(16)14-9-5-6-10(13(17)18)11(15)7-9/h4-7,15H,3H2,1-2H3,(H,14,16)(H,17,18)/b8-4+