(E)-7-(1-phenylpyrazol-4-yl)hept-2-enoic acid

Systemtic Name: (E)-7-(1-phenylpyrazol-4-yl)hept-2-enoic acid Openeye Name: (E)-7-(1-phenylpyrazol-4-yl)hept-2-enoic acid CAS Name: (E)-7-(1-phenyl-4-pyrazolyl)-2-heptenoic acid IUPAC Name: (E)-7-(1-phenylpyrazol-4-yl)hept-2-enoic acid Traditional Name: (E)-7-(1-phenylpyrazol-4-yl)hept-2-enoic acid Formula: C16H18N2O2 MolecularWeight: 270.32632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCCCC=CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCCC/C=C/C(=O)O

InChI

InChI=1S/C16H18N2O2/c19-16(20)11-7-2-1-4-8-14-12-17-18(13-14)15-9-5-3-6-10-15/h3,5-7,9-13H,1-2,4,8H2,(H,19,20)/b11-7+