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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-oxidanylidene-4-(4-propoxyphenyl)butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-oxo-4-(4-propoxyphenyl)butanoate CAS Name: 4-oxo-4-(4-propoxyphenyl)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-propoxyphenyl)butanoate Traditional Name: 4-keto-4-(4-propoxyphenyl)butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)CCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H21N3O5/c1-2-13-28-16-9-7-15(8-10-16)19(25)11-12-20(26)29-14-24-21(27)17-5-3-4-6-18(17)22-23-24/h3-10H,2,11-14H2,1H3