[1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate

Systemtic Name: [1-(4-ethanoyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Openeye Name: [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate CAS Name: 6-(1,2,4-triazol-1-yl)-3-pyridinecarboxylic acid [1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 6-(1,2,4-triazol-1-yl)pyridine-3-carboxylate Traditional Name: 6-(1,2,4-triazol-1-yl)nicotinic acid [2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC(=O)C2=CN=C(C=C2)N3C=NC=N3

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)C(C)OC(=O)C2=CN=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C19H19N5O4/c1-10-16(12(3)25)11(2)23-17(10)18(26)13(4)28-19(27)14-5-6-15(21-7-14)24-9-20-8-22-24/h5-9,13,23H,1-4H3