(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(benzotriazol-1-ylmethyl)benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(benzotriazol-1-ylmethyl)benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(benzotriazol-1-ylmethyl)benzoate CAS Name: 4-(1-benzotriazolylmethyl)benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(benzotriazol-1-ylmethyl)benzoate Traditional Name: 4-(benzotriazol-1-ylmethyl)benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H16N6O3 MolecularWeight: 412.40084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H16N6O3/c29-21-17-5-1-2-6-18(17)23-26-28(21)14-31-22(30)16-11-9-15(10-12-16)13-27-20-8-4-3-7-19(20)24-25-27/h1-12H,13-14H2