2-[(E)-2-(1-phenylpyrazol-4-yl)ethenyl]quinoline-4-carboxylate

Systemtic Name: 2-[(E)-2-(1-phenylpyrazol-4-yl)ethenyl]quinoline-4-carboxylate Openeye Name: 2-[(E)-2-(1-phenylpyrazol-4-yl)vinyl]quinoline-4-carboxylate CAS Name: 2-[(E)-2-(1-phenyl-4-pyrazolyl)ethenyl]-4-quinolinecarboxylate IUPAC Name: 2-[(E)-2-(1-phenylpyrazol-4-yl)ethenyl]quinoline-4-carboxylate Traditional Name: 2-[(E)-2-(1-phenylpyrazol-4-yl)vinyl]cinchoninate Formula: C21H14N3O2- MolecularWeight: 340.35476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C=CC3=NC4=CC=CC=C4C(=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)/C=C/C3=NC4=CC=CC=C4C(=C3)C(=O)[O-]

InChI

InChI=1S/C21H15N3O2/c25-21(26)19-12-16(23-20-9-5-4-8-18(19)20)11-10-15-13-22-24(14-15)17-6-2-1-3-7-17/h1-14H,(H,25,26)/p-1/b11-10+