(E)-3-[5-bromanyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-bromanyl-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[5-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]prop-2-enoic acid CAS Name: (E)-3-[5-bromo-2-[(1-methyl-4-pyrazolyl)methoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[5-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[5-bromo-2-[(1-methylpyrazol-4-yl)methoxy]phenyl]acrylic acid Formula: C14H13BrN2O3 MolecularWeight: 337.16862

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)COC2=C(C=C(C=C2)Br)C=CC(=O)O

Isomeric SMILES

CN1C=C(C=N1)COC2=C(C=C(C=C2)Br)/C=C/C(=O)O

InChI

InChI=1S/C14H13BrN2O3/c1-17-8-10(7-16-17)9-20-13-4-3-12(15)6-11(13)2-5-14(18)19/h2-8H,9H2,1H3,(H,18,19)/b5-2+