2-[(E)-2-(1,3,5-trimethylpyrazol-4-yl)ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[(E)-2-(1,3,5-trimethylpyrazol-4-yl)ethenyl]quinoline-4-carboxylic acid Openeye Name: 2-[(E)-2-(1,3,5-trimethylpyrazol-4-yl)vinyl]quinoline-4-carboxylic acid CAS Name: 2-[(E)-2-(1,3,5-trimethyl-4-pyrazolyl)ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[(E)-2-(1,3,5-trimethylpyrazol-4-yl)ethenyl]quinoline-4-carboxylic acid Traditional Name: 2-[(E)-2-(1,3,5-trimethylpyrazol-4-yl)vinyl]cinchoninic acid Formula: C18H17N3O2 MolecularWeight: 307.34648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C18H17N3O2/c1-11-14(12(2)21(3)20-11)9-8-13-10-16(18(22)23)15-6-4-5-7-17(15)19-13/h4-10H,1-3H3,(H,22,23)/b9-8+