(E)-3-(6-acetamido-6-methyl-cyclohexa-2,4-dien-1-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(6-acetamido-6-methyl-cyclohexa-2,4-dien-1-yl)prop-2-enoic acid Openeye Name: (E)-3-(6-acetamido-6-methyl-cyclohexa-2,4-dien-1-yl)prop-2-enoic acid CAS Name: (E)-3-(6-acetamido-6-methyl-1-cyclohexa-2,4-dienyl)-2-propenoic acid IUPAC Name: (E)-3-(6-acetamido-6-methylcyclohexa-2,4-dien-1-yl)prop-2-enoic acid Traditional Name: (E)-3-(6-acetamido-6-methyl-cyclohexa-2,4-dien-1-yl)acrylic acid Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1(C=CC=CC1C=CC(=O)O)C

Isomeric SMILES

CC(=O)NC1(C=CC=CC1/C=C/C(=O)O)C

InChI

InChI=1S/C12H15NO3/c1-9(14)13-12(2)8-4-3-5-10(12)6-7-11(15)16/h3-8,10H,1-2H3,(H,13,14)(H,15,16)/b7-6+