O1-methyl O3-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[2-oxidanylidene-2-(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] ester IUPAC Name: 1-O-methyl 3-O-[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-keto-2-(3-keto-4H-1,4-benzoxazin-6-yl)ethyl] ester O1-methyl ester Formula: C19H14N2O9 MolecularWeight: 414.32246

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C19H14N2O9/c1-28-18(24)11-4-12(6-13(5-11)21(26)27)19(25)30-8-15(22)10-2-3-16-14(7-10)20-17(23)9-29-16/h2-7H,8-9H2,1H3,(H,20,23)