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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-methoxy-5-nitro-benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C16H12N4O6 MolecularWeight: 356.28968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O6/c1-25-14-7-6-10(20(23)24)8-12(14)16(22)26-9-19-15(21)11-4-2-3-5-13(11)17-18-19/h2-8H,9H2,1H3