methyl 4-oxidanylidene-5,6-dihydro-[1,2,3]triazolo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: methyl 4-oxidanylidene-5,6-dihydro-[1,2,3]triazolo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: methyl 4-oxo-5,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 4-oxo-5,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-3-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-5,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 4-keto-5,6-dihydrotriazolo[1,5-a][1,4]benzodiazepine-3-carboxylic acid methyl ester Formula: C12H10N4O3 MolecularWeight: 258.2328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=O)NCC3=CC=CC=C3N2N=N1

Isomeric SMILES

COC(=O)C1=C2C(=O)NCC3=CC=CC=C3N2N=N1

InChI

InChI=1S/C12H10N4O3/c1-19-12(18)9-10-11(17)13-6-7-4-2-3-5-8(7)16(10)15-14-9/h2-5H,6H2,1H3,(H,13,17)