(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-ethylsulfonylbenzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-ethylsulfonylbenzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H15N3O5S/c1-2-26(23,24)15-10-6-4-8-13(15)17(22)25-11-20-16(21)12-7-3-5-9-14(12)18-19-20/h3-10H,2,11H2,1H3