(E)-2-acetamido-3-(3,4-dimethylphenyl)prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-(3,4-dimethylphenyl)prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(3,4-dimethylphenyl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(3,4-dimethylphenyl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(3,4-dimethylphenyl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(3,4-dimethylphenyl)acrylic acid Formula: C13H15NO3 MolecularWeight: 233.2631

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C(C(=O)O)NC(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C(\C(=O)O)/NC(=O)C)C

InChI

InChI=1S/C13H15NO3/c1-8-4-5-11(6-9(8)2)7-12(13(16)17)14-10(3)15/h4-7H,1-3H3,(H,14,15)(H,16,17)/b12-7+