(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-chloro-4-isobutoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-chloro-4-isobutoxy-5-methoxy-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H20ClN3O5 MolecularWeight: 417.8429

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Cl)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Cl)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OC

InChI

InChI=1S/C20H20ClN3O5/c1-12(2)10-28-18-15(21)8-13(9-17(18)27-3)20(26)29-11-24-19(25)14-6-4-5-7-16(14)22-23-24/h4-9,12H,10-11H2,1-3H3