6-(2-fluorophenyl)-8-nitro-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid

Systemtic Name: 6-(2-fluorophenyl)-8-nitro-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid Openeye Name: 6-(2-fluorophenyl)-8-nitro-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid CAS Name: 6-(2-fluorophenyl)-8-nitro-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid IUPAC Name: 6-(2-fluorophenyl)-8-nitro-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid Traditional Name: 6-(2-fluorophenyl)-8-nitro-4H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid Formula: C17H10FN5O4 MolecularWeight: 367.290803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=NC(=NN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N1)C4=CC=CC=C4F)C(=O)O

Isomeric SMILES

C1C2=NC(=NN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N1)C4=CC=CC=C4F)C(=O)O

InChI

InChI=1S/C17H10FN5O4/c18-12-4-2-1-3-10(12)15-11-7-9(23(26)27)5-6-13(11)22-14(8-19-15)20-16(21-22)17(24)25/h1-7H,8H2,(H,24,25)