6-[(E)-2-[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]ethenyl]pyridine-3-carboxylate

Systemtic Name: 6-[(E)-2-[5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]ethenyl]pyridine-3-carboxylate Openeye Name: 6-[(E)-2-[5-chloro-3-methyl-1-(p-tolylmethyl)pyrazol-4-yl]vinyl]pyridine-3-carboxylate CAS Name: 6-[(E)-2-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]ethenyl]-3-pyridinecarboxylate IUPAC Name: 6-[(E)-2-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]ethenyl]pyridine-3-carboxylate Traditional Name: 6-[(E)-2-[5-chloro-3-methyl-1-(4-methylbenzyl)pyrazol-4-yl]vinyl]nicotinate Formula: C20H17ClN3O2- MolecularWeight: 366.82088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C=CC3=NC=C(C=C3)C(=O)[O-])Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)/C=C/C3=NC=C(C=C3)C(=O)[O-])Cl

InChI

InChI=1S/C20H18ClN3O2/c1-13-3-5-15(6-4-13)12-24-19(21)18(14(2)23-24)10-9-17-8-7-16(11-22-17)20(25)26/h3-11H,12H2,1-2H3,(H,25,26)/p-1/b10-9+