ethanedioate; 1-methyl-6-[phenyl(1,2,4-triazol-1-yl)methyl]benzotriazole

Systemtic Name: ethanedioate; 1-methyl-6-[phenyl(1,2,4-triazol-1-yl)methyl]benzotriazole Openeye Name: 1-methyl-6-[phenyl(1,2,4-triazol-1-yl)methyl]benzotriazole; oxalate CAS Name: 1-methyl-6-[phenyl(1,2,4-triazol-1-yl)methyl]benzotriazole; oxalate IUPAC Name: 1-methyl-6-[phenyl(1,2,4-triazol-1-yl)methyl]benzotriazole; oxalate Traditional Name: 1-methyl-6-[phenyl(1,2,4-triazol-1-yl)methyl]benzotriazole; oxalate Formula: C18H14N6O4-2 MolecularWeight: 378.34156

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(C3=CC=CC=C3)N4C=NC=N4)N=N1.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(C3=CC=CC=C3)N4C=NC=N4)N=N1.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C16H14N6.C2H2O4/c1-21-15-9-13(7-8-14(15)19-20-21)16(22-11-17-10-18-22)12-5-3-2-4-6-12;3-1(4)2(5)6/h2-11,16H,1H3;(H,3,4)(H,5,6)/p-2