ethyl 6-(2-fluorophenyl)-1-methyl-8-nitro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

Systemtic Name: ethyl 6-(2-fluorophenyl)-1-methyl-8-nitro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Openeye Name: ethyl 6-(2-fluorophenyl)-1-methyl-8-nitro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate CAS Name: 6-(2-fluorophenyl)-1-methyl-8-nitro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2-fluorophenyl)-1-methyl-8-nitro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate Traditional Name: 6-(2-fluorophenyl)-1-methyl-8-nitro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid ethyl ester Formula: C21H17FN4O4 MolecularWeight: 408.382483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2CN=C(C3=C(N2C(=N1)C)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C1=C2CN=C(C3=C(N2C(=N1)C)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4F

InChI

InChI=1S/C21H17FN4O4/c1-3-30-21(27)20-18-11-23-19(14-6-4-5-7-16(14)22)15-10-13(26(28)29)8-9-17(15)25(18)12(2)24-20/h4-10H,3,11H2,1-2H3