methyl 5-azanyl-1-(phenylcarbonyl)-1,2,4-triazole-3-carboxylate

Systemtic Name: methyl 5-azanyl-1-(phenylcarbonyl)-1,2,4-triazole-3-carboxylate Openeye Name: methyl 5-amino-1-benzoyl-1,2,4-triazole-3-carboxylate CAS Name: 5-amino-1-benzoyl-1,2,4-triazole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-benzoyl-1,2,4-triazole-3-carboxylate Traditional Name: 5-amino-1-benzoyl-1,2,4-triazole-3-carboxylic acid methyl ester Formula: C11H10N4O3 MolecularWeight: 246.2221

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C(=N1)N)C(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=NN(C(=N1)N)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H10N4O3/c1-18-10(17)8-13-11(12)15(14-8)9(16)7-5-3-2-4-6-7/h2-6H,1H3,(H2,12,13,14)