(E)-3-[3-[(4-bromanylpyrazol-1-yl)methyl]-4-methoxy-phenyl]prop-2-enoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)O)CN2C=C(C=N2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)O)CN2C=C(C=N2)Br

InChI

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