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

Systemtic Name: (E)-3-(6-acetamido-6-acetyloxy-cyclohexa-2,4-dien-1-yl)prop-2-enoic acid Openeye Name: (E)-3-(6-acetamido-6-acetoxy-cyclohexa-2,4-dien-1-yl)prop-2-enoic acid CAS Name: (E)-3-(6-acetamido-6-acetyloxy-1-cyclohexa-2,4-dienyl)-2-propenoic acid IUPAC Name: (E)-3-(6-acetamido-6-acetyloxycyclohexa-2,4-dien-1-yl)prop-2-enoic acid Traditional Name: (E)-3-(6-acetamido-6-acetoxy-cyclohexa-2,4-dien-1-yl)acrylic acid Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c1-9(15)14-13(19-10(2)16)8-4-3-5-11(13)6-7-12(17)18/h3-8,11H,1-2H3,(H,14,15)(H,17,18)/b7-6+