(E)-2-acetamido-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(3-hydroxy-4-methoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(3-hydroxy-4-methoxy-phenyl)acrylic acid Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N/C(=C/C1=CC(=C(C=C1)OC)O)/C(=O)O

InChI

InChI=1S/C12H13NO5/c1-7(14)13-9(12(16)17)5-8-3-4-11(18-2)10(15)6-8/h3-6,15H,1-2H3,(H,13,14)(H,16,17)/b9-5+