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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-ethoxy-4-propoxy-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-ethoxy-4-propoxy-benzoate CAS Name: 3-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-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)OCC

InChI

InChI=1S/C20H21N3O5/c1-3-11-27-17-10-9-14(12-18(17)26-4-2)20(25)28-13-23-19(24)15-7-5-6-8-16(15)21-22-23/h5-10,12H,3-4,11,13H2,1-2H3