(E)-2-acetamido-3-(6-bromanyl-1,3-benzodioxol-5-yl)prop-2-enoic acid

Systemtic Name: (E)-2-acetamido-3-(6-bromanyl-1,3-benzodioxol-5-yl)prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoic acid CAS Name: (E)-2-acetamido-3-(6-bromo-1,3-benzodioxol-5-yl)-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-(6-bromo-1,3-benzodioxol-5-yl)prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-(6-bromo-1,3-benzodioxol-5-yl)acrylic acid Formula: C12H10BrNO5 MolecularWeight: 328.1155

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC2=C(C=C1Br)OCO2)C(=O)O

Isomeric SMILES

CC(=O)N/C(=C/C1=CC2=C(C=C1Br)OCO2)/C(=O)O

InChI

InChI=1S/C12H10BrNO5/c1-6(15)14-9(12(16)17)2-7-3-10-11(4-8(7)13)19-5-18-10/h2-4H,5H2,1H3,(H,14,15)(H,16,17)/b9-2+