ethane; ethanedioate; 4-[imidazol-1-yl-(3-methylbenzotriazol-5-yl)methyl]benzoate

Systemtic Name: ethane; ethanedioate; 4-[imidazol-1-yl-(3-methylbenzotriazol-5-yl)methyl]benzoate Openeye Name: ethane; 4-[imidazol-1-yl-(3-methylbenzotriazol-5-yl)methyl]benzoate; oxalate CAS Name: ethane; 4-[1-imidazolyl-(3-methyl-5-benzotriazolyl)methyl]benzoate; oxalate IUPAC Name: ethane; 4-[imidazol-1-yl-(3-methylbenzotriazol-5-yl)methyl]benzoate; oxalate Traditional Name: ethane; 4-[imidazol-1-yl-(3-methylbenzotriazol-5-yl)methyl]benzoate; oxalate Formula: C22H20N5O6-3 MolecularWeight: 450.4241

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Descriptors Computed from Structure

Canonical SMILES:

CC.CN1C2=C(C=CC(=C2)C(C3=CC=C(C=C3)C(=O)[O-])N4C=CN=C4)N=N1.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC.CN1C2=C(C=CC(=C2)C(C3=CC=C(C=C3)C(=O)[O-])N4C=CN=C4)N=N1.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C18H15N5O2.C2H2O4.C2H6/c1-22-16-10-14(6-7-15(16)20-21-22)17(23-9-8-19-11-23)12-2-4-13(5-3-12)18(24)25;3-1(4)2(5)6;1-2/h2-11,17H,1H3,(H,24,25);(H,3,4)(H,5,6);1-2H3/p-3