ethyl 8-iodanyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: ethyl 8-iodanyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: ethyl 8-iodanyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 8-iodanyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-iodanyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 8-iodanyl-6-keto-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Formula: C15H14IN3O3 MolecularWeight: 407.195558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)I)C

Isomeric SMILES

CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)[123I])C

InChI

InChI=1S/C15H14IN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3/i16-4