(5-ethanoyl-2-methoxy-phenyl)methyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(1,2,4-triazol-1-yl)nicotinic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CN=C(C=C2)N3C=NC=N3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CN=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C18H16N4O4/c1-12(23)13-3-5-16(25-2)15(7-13)9-26-18(24)14-4-6-17(20-8-14)22-11-19-10-21-22/h3-8,10-11H,9H2,1-2H3