O1-methyl O3-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl] ester IUPAC Name: 1-O-methyl 3-O-[(4-oxo-1,2,3-benzotriazin-3-yl)methyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[(4-keto-1,2,3-benzotriazin-3-yl)methyl] ester O1-methyl ester Formula: C17H12N4O7 MolecularWeight: 384.29978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N4O7/c1-27-16(23)10-6-11(8-12(7-10)21(25)26)17(24)28-9-20-15(22)13-4-2-3-5-14(13)18-19-20/h2-8H,9H2,1H3