(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-[(4-tert-butylphenoxy)methyl]benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-[(4-tert-butylphenoxy)methyl]benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-[(4-tert-butylphenoxy)methyl]benzoate CAS Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-[(4-tert-butylphenoxy)methyl]benzoate Traditional Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C26H25N3O4 MolecularWeight: 443.4944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C26H25N3O4/c1-26(2,3)20-12-14-21(15-13-20)32-16-18-8-10-19(11-9-18)25(31)33-17-29-24(30)22-6-4-5-7-23(22)27-28-29/h4-15H,16-17H2,1-3H3