(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-oxidanylidene-4-(4-propylphenyl)butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-oxidanylidene-4-(4-propylphenyl)butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate CAS Name: 4-oxo-4-(4-propylphenyl)butanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-oxo-4-(4-propylphenyl)butanoate Traditional Name: 4-keto-4-(4-propylphenyl)butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H21N3O4/c1-2-5-15-8-10-16(11-9-15)19(25)12-13-20(26)28-14-24-21(27)17-6-3-4-7-18(17)22-23-24/h3-4,6-11H,2,5,12-14H2,1H3