8-ethynyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid

Systemtic Name: 8-ethynyl-5-methyl-6-oxidanylidene-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid Openeye Name: 8-ethynyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid CAS Name: 8-ethynyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid IUPAC Name: 8-ethynyl-5-methyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid Traditional Name: 8-ethynyl-6-keto-5-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid Formula: C15H11N3O3 MolecularWeight: 281.26614

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(N=CN2C3=C(C1=O)C=C(C=C3)C#C)C(=O)O

Isomeric SMILES

CN1CC2=C(N=CN2C3=C(C1=O)C=C(C=C3)C#C)C(=O)O

InChI

InChI=1S/C15H11N3O3/c1-3-9-4-5-11-10(6-9)14(19)17(2)7-12-13(15(20)21)16-8-18(11)12/h1,4-6,8H,7H2,2H3,(H,20,21)