(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-methyl-5-methylsulfonyl-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic 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:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

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