8-chloranyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-carboxylic acid

Systemtic Name: 8-chloranyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-carboxylic acid Openeye Name: 8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-carboxylic acid CAS Name: 8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-carboxylic acid IUPAC Name: 8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-carboxylic acid Traditional Name: 8-chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-1-carboxylic acid Formula: C17H11ClN4O2 MolecularWeight: 338.74784

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C2=NN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C17H11ClN4O2/c18-11-6-7-13-12(8-11)15(10-4-2-1-3-5-10)19-9-14-20-21-16(17(23)24)22(13)14/h1-8H,9H2,(H,23,24)