methyl 6-[(E)-2-isocyanoethenyl]-2-(3-methylimidazol-4-yl)-7-(trifluoromethyl)quinoline-4-carboxylate

Systemtic Name: methyl 6-[(E)-2-isocyanoethenyl]-2-(3-methylimidazol-4-yl)-7-(trifluoromethyl)quinoline-4-carboxylate Openeye Name: methyl 6-[(E)-2-isocyanovinyl]-2-(3-methylimidazol-4-yl)-7-(trifluoromethyl)quinoline-4-carboxylate CAS Name: 6-[(E)-2-isocyanoethenyl]-2-(3-methyl-4-imidazolyl)-7-(trifluoromethyl)-4-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(E)-2-isocyanoethenyl]-2-(3-methylimidazol-4-yl)-7-(trifluoromethyl)quinoline-4-carboxylate Traditional Name: 6-[(E)-2-isocyanovinyl]-2-(3-methylimidazol-4-yl)-7-(trifluoromethyl)cinchoninic acid methyl ester Formula: C19H13F3N4O2 MolecularWeight: 386.32733

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC=C1C2=NC3=CC(=C(C=C3C(=C2)C(=O)OC)C=C[N+]#[C-])C(F)(F)F

Isomeric SMILES

CN1C=NC=C1C2=NC3=CC(=C(C=C3C(=C2)C(=O)OC)/C=C/[N+]#[C-])C(F)(F)F

InChI

InChI=1S/C19H13F3N4O2/c1-23-5-4-11-6-12-13(18(27)28-3)7-16(17-9-24-10-26(17)2)25-15(12)8-14(11)19(20,21)22/h4-10H,2-3H3/b5-4+