[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylamino)-1-oxopropan-2-yl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OC(C)C(=O)NC2CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(N=C1C(=O)OC(C)C(=O)NC2CC2)C3=CC=CC=C3

InChI

InChI=1S/C16H18N4O3/c1-10-14(19-20(18-10)13-6-4-3-5-7-13)16(22)23-11(2)15(21)17-12-8-9-12/h3-7,11-12H,8-9H2,1-2H3,(H,17,21)