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

Systemtic Name: phenyl 4-cyclopropyl-3-methyl-5-oxidanylidene-1,2,4-triazole-1-carboxylate Openeye Name: phenyl 4-cyclopropyl-3-methyl-5-oxo-1,2,4-triazole-1-carboxylate CAS Name: 4-cyclopropyl-3-methyl-5-oxo-1,2,4-triazole-1-carboxylic acid phenyl ester IUPAC Name: phenyl 4-cyclopropyl-3-methyl-5-oxo-1,2,4-triazole-1-carboxylate Traditional Name: 4-cyclopropyl-5-keto-3-methyl-1,2,4-triazole-1-carboxylic acid phenyl ester Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)N1C2CC2)C(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)N1C2CC2)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C13H13N3O3/c1-9-14-16(12(17)15(9)10-7-8-10)13(18)19-11-5-3-2-4-6-11/h2-6,10H,7-8H2,1H3