(E)-3-[6-(4-bromanylbutanoylamino)pyridin-3-yl]prop-2-enoic acid

Systemtic Name: (E)-3-[6-(4-bromanylbutanoylamino)pyridin-3-yl]prop-2-enoic acid Openeye Name: (E)-3-[6-(4-bromobutanoylamino)-3-pyridyl]prop-2-enoic acid CAS Name: (E)-3-[6-[(4-bromo-1-oxobutyl)amino]-3-pyridinyl]-2-propenoic acid IUPAC Name: (E)-3-[6-(4-bromobutanoylamino)pyridin-3-yl]prop-2-enoic acid Traditional Name: (E)-3-[6-(4-bromobutanoylamino)-3-pyridyl]acrylic acid Formula: C12H13BrN2O3 MolecularWeight: 313.14722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C=CC(=O)O)NC(=O)CCCBr

Isomeric SMILES

C1=CC(=NC=C1/C=C/C(=O)O)NC(=O)CCCBr

InChI

InChI=1S/C12H13BrN2O3/c13-7-1-2-11(16)15-10-5-3-9(8-14-10)4-6-12(17)18/h3-6,8H,1-2,7H2,(H,17,18)(H,14,15,16)/b6-4+