2-[[6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-8-carbonyl]amino]acetic acid CAS Name: 2-[[[6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-8-yl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-8-carbonyl]amino]acetic acid Traditional Name: 2-[[6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-8-carbonyl]amino]acetic acid Formula: C19H14ClN5O3 MolecularWeight: 395.79916

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=NN=CN2C3=C(C=C(C=C3)C(=O)NCC(=O)O)C(=N1)C4=CC=CC=C4Cl

Isomeric SMILES

C1C2=NN=CN2C3=C(C=C(C=C3)C(=O)NCC(=O)O)C(=N1)C4=CC=CC=C4Cl

InChI

InChI=1S/C19H14ClN5O3/c20-14-4-2-1-3-12(14)18-13-7-11(19(28)22-9-17(26)27)5-6-15(13)25-10-23-24-16(25)8-21-18/h1-7,10H,8-9H2,(H,22,28)(H,26,27)