4-(3-methylbut-2-enoylamino)-2-oxidanyl-benzoic acid

Systemtic Name: 4-(3-methylbut-2-enoylamino)-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-(3-methylbut-2-enoylamino)benzoic acid CAS Name: 2-hydroxy-4-[(3-methyl-1-oxobut-2-enyl)amino]benzoic acid IUPAC Name: 2-hydroxy-4-(3-methylbut-2-enoylamino)benzoic acid Traditional Name: 2-hydroxy-4-(3-methylbut-2-enoylamino)benzoic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-7(2)5-11(15)13-8-3-4-9(12(16)17)10(14)6-8/h3-6,14H,1-2H3,(H,13,15)(H,16,17)