ethyl 2-(4-chlorophenyl)-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-(4-chlorophenyl)-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(4-chlorophenyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 2-(4-chlorophenyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorophenyl)-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 2-(4-chlorophenyl)-7-keto-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Formula: C14H11ClN4O3 MolecularWeight: 318.71514

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2N=C(NN2C1=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C2N=C(NN2C1=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H11ClN4O3/c1-2-22-13(21)10-7-16-14-17-11(18-19(14)12(10)20)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3,(H,16,17,18)