O1-methyl O3-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-methyl O3-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-methyl O3-[3-(2-oxo-3H-benzimidazol-1-yl)propyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-methyl ester O3-[3-(2-oxo-3H-benzimidazol-1-yl)propyl] ester IUPAC Name: 1-O-methyl 3-O-[3-(2-oxo-3H-benzimidazol-1-yl)propyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[3-(2-keto-3H-benzimidazol-1-yl)propyl] ester O1-methyl ester Formula: C19H17N3O7 MolecularWeight: 399.35418

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCCCN2C3=CC=CC=C3NC2=O

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCCCN2C3=CC=CC=C3NC2=O

InChI

InChI=1S/C19H17N3O7/c1-28-17(23)12-9-13(11-14(10-12)22(26)27)18(24)29-8-4-7-21-16-6-3-2-5-15(16)20-19(21)25/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,20,25)