(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic 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-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-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:

CCCOC1=C(C=C(C=C1Cl)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OCC

InChI

InChI=1S/C20H20ClN3O5/c1-3-9-28-18-15(21)10-13(11-17(18)27-4-2)20(26)29-12-24-19(25)14-7-5-6-8-16(14)22-23-24/h5-8,10-11H,3-4,9,12H2,1-2H3