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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-(4-chloranyl-3-methyl-phenoxy)butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(4-chloro-3-methyl-phenoxy)butanoate CAS Name: 4-(4-chloro-3-methylphenoxy)butanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-(4-chloro-3-methylphenoxy)butanoate Traditional Name: 4-(4-chloro-3-methyl-phenoxy)butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H18ClN3O4 MolecularWeight: 387.81692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2)Cl

InChI

InChI=1S/C19H18ClN3O4/c1-13-11-14(8-9-16(13)20)26-10-4-7-18(24)27-12-23-19(25)15-5-2-3-6-17(15)21-22-23/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3