(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-butoxy-3-ethoxy-benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-butoxy-3-ethoxy-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OCC

InChI

InChI=1S/C21H23N3O5/c1-3-5-12-28-18-11-10-15(13-19(18)27-4-2)21(26)29-14-24-20(25)16-8-6-7-9-17(16)22-23-24/h6-11,13H,3-5,12,14H2,1-2H3