ethanedioate; 1-methyl-6-[(4-methylimidazol-1-yl)-phenyl-methyl]benzotriazole

Systemtic Name: ethanedioate; 1-methyl-6-[(4-methylimidazol-1-yl)-phenyl-methyl]benzotriazole Openeye Name: 1-methyl-6-[(4-methylimidazol-1-yl)-phenyl-methyl]benzotriazole; oxalate CAS Name: 1-methyl-6-[(4-methyl-1-imidazolyl)-phenylmethyl]benzotriazole; oxalate IUPAC Name: 1-methyl-6-[(4-methylimidazol-1-yl)-phenylmethyl]benzotriazole; oxalate Traditional Name: 1-methyl-6-[(4-methylimidazol-1-yl)-phenyl-methyl]benzotriazole; oxalate Formula: C20H17N5O4-2 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)C(C2=CC=CC=C2)C3=CC4=C(C=C3)N=NN4C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC1=CN(C=N1)C(C2=CC=CC=C2)C3=CC4=C(C=C3)N=NN4C.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C18H17N5.C2H2O4/c1-13-11-23(12-19-13)18(14-6-4-3-5-7-14)15-8-9-16-17(10-15)22(2)21-20-16;3-1(4)2(5)6/h3-12,18H,1-2H3;(H,3,4)(H,5,6)/p-2