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

Systemtic Name: (E)-2-acetamido-3-(3-bromanyl-4-methoxy-phenyl)prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(3-bromo-4-methoxy-phenyl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(3-bromo-4-methoxyphenyl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(3-bromo-4-methoxyphenyl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(3-bromo-4-methoxy-phenyl)acrylic acid Formula: C12H12BrNO4 MolecularWeight: 314.13198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12BrNO4/c1-7(15)14-10(12(16)17)6-8-3-4-11(18-2)9(13)5-8/h3-6H,1-2H3,(H,14,15)(H,16,17)/b10-6+