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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H14N4O7 MolecularWeight: 386.31566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H14N4O7/c1-26-14-7-11(13(21(24)25)8-15(14)27-2)17(23)28-9-20-16(22)10-5-3-4-6-12(10)18-19-20/h3-8H,9H2,1-2H3