ethyl 5-azanyl-1-[4-(pyridin-4-ylcarbonylamino)phenyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-(pyridin-4-ylcarbonylamino)phenyl]-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-(pyridine-4-carbonylamino)phenyl]triazole-4-carboxylate CAS Name: 5-amino-1-[4-[[oxo(pyridin-4-yl)methyl]amino]phenyl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(pyridine-4-carbonylamino)phenyl]triazole-4-carboxylate Traditional Name: 5-amino-1-(4-isonicotinamidophenyl)triazole-4-carboxylic acid ethyl ester Formula: C17H16N6O3 MolecularWeight: 352.34734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=CC=C(C=C2)NC(=O)C3=CC=NC=C3)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=CC=C(C=C2)NC(=O)C3=CC=NC=C3)N

InChI

InChI=1S/C17H16N6O3/c1-2-26-17(25)14-15(18)23(22-21-14)13-5-3-12(4-6-13)20-16(24)11-7-9-19-10-8-11/h3-10H,2,18H2,1H3,(H,20,24)