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

Systemtic Name: 3-[[(E)-but-2-enoyl]amino]-4-methyl-benzoic acid Openeye Name: 3-[[(E)-but-2-enoyl]amino]-4-methyl-benzoic acid CAS Name: 4-methyl-3-[[(E)-1-oxobut-2-enyl]amino]benzoic acid IUPAC Name: 3-[[(E)-but-2-enoyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[(E)-but-2-enoyl]amino]-4-methyl-benzoic acid Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3/c1-3-4-11(14)13-10-7-9(12(15)16)6-5-8(10)2/h3-7H,1-2H3,(H,13,14)(H,15,16)/b4-3+