iodanyl 5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: iodanyl 5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: iodo 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid iodo ester IUPAC Name: iodo 5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 6-keto-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid iodo ester Formula: C13H10IN3O3 MolecularWeight: 383.14127

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(N=CN2C3=CC=CC=C3C1=O)C(=O)OI

Isomeric SMILES

CN1CC2=C(N=CN2C3=CC=CC=C3C1=O)C(=O)OI

InChI

InChI=1S/C13H10IN3O3/c1-16-6-10-11(13(19)20-14)15-7-17(10)9-5-3-2-4-8(9)12(16)18/h2-5,7H,6H2,1H3