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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-ethoxy-4-(2-methylpropoxy)benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-ethoxy-4-isobutoxy-benzoate CAS Name: 3-ethoxy-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-ethoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-ethoxy-4-isobutoxy-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:

CCOC1=C(C=CC(=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OCC(C)C

InChI

InChI=1S/C21H23N3O5/c1-4-27-19-11-15(9-10-18(19)28-12-14(2)3)21(26)29-13-24-20(25)16-7-5-6-8-17(16)22-23-24/h5-11,14H,4,12-13H2,1-3H3