2-(3-azanyl-1-phenyl-2,6-dihydro-[1,2,4]triazolo[1,5-c][1,2,3]triazol-5-yl)benzoic acid

Systemtic Name: 2-(3-azanyl-1-phenyl-2,6-dihydro-[1,2,4]triazolo[1,5-c][1,2,3]triazol-5-yl)benzoic acid Openeye Name: 2-(3-amino-1-phenyl-2,6-dihydro-[1,2,4]triazolo[1,5-c]triazol-5-yl)benzoic acid CAS Name: 2-(3-amino-1-phenyl-2,6-dihydro-[1,2,4]triazolo[1,5-c]triazol-5-yl)benzoic acid IUPAC Name: 2-(3-amino-1-phenyl-2,6-dihydro-[1,2,4]triazolo[1,5-c]triazol-5-yl)benzoic acid Traditional Name: 2-(3-amino-1-phenyl-2,6-dihydro-[1,2,4]triazolo[1,5-c]triazol-5-yl)benzoic acid Formula: C16H14N6O2 MolecularWeight: 322.32136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2NC(=C3N2NC(=N3)C4=CC=CC=C4C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)N2NC(=C3N2NC(=N3)C4=CC=CC=C4C(=O)O)N

InChI

InChI=1S/C16H14N6O2/c17-13-15-18-14(11-8-4-5-9-12(11)16(23)24)20-22(15)21(19-13)10-6-2-1-3-7-10/h1-9,19H,17H2,(H,18,20)(H,23,24)