(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(4-tert-butylphenoxy)propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(4-tert-butylphenoxy)propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(4-tert-butylphenoxy)propanoate CAS Name: 3-(4-tert-butylphenoxy)propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(4-tert-butylphenoxy)propanoate Traditional Name: 3-(4-tert-butylphenoxy)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H23N3O4/c1-21(2,3)15-8-10-16(11-9-15)27-13-12-19(25)28-14-24-20(26)17-6-4-5-7-18(17)22-23-24/h4-11H,12-14H2,1-3H3