3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 4,5-dimethoxy-2-nitro-benzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C19H19N3O7 MolecularWeight: 401.37006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCCCN2C3=CC=CC=C3NC2=O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCCCN2C3=CC=CC=C3NC2=O)[N+](=O)[O-])OC

InChI

InChI=1S/C19H19N3O7/c1-27-16-10-12(15(22(25)26)11-17(16)28-2)18(23)29-9-5-8-21-14-7-4-3-6-13(14)20-19(21)24/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,20,24)