ethyl 1-methyl-5-oxidanylidene-4-phenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: ethyl 1-methyl-5-oxidanylidene-4-phenyl-1,2,4-triazole-3-carboxylate Openeye Name: ethyl 1-methyl-5-oxo-4-phenyl-1,2,4-triazole-3-carboxylate CAS Name: 1-methyl-5-oxo-4-phenyl-1,2,4-triazole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 1-methyl-5-oxo-4-phenyl-1,2,4-triazole-3-carboxylate Traditional Name: 5-keto-1-methyl-4-phenyl-1,2,4-triazole-3-carboxylic acid ethyl ester Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)N1C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)N1C2=CC=CC=C2)C

InChI

InChI=1S/C12H13N3O3/c1-3-18-11(16)10-13-14(2)12(17)15(10)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3