(6-nitro-1,3-benzodioxol-5-yl)methyl 4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxylate

Systemtic Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carboxylate Openeye Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate CAS Name: 4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinecarboxylic acid (6-nitro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-nitro-1,3-benzodioxol-5-yl)methyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate Traditional Name: 4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid (6-nitro-1,3-benzodioxol-5-yl)methyl ester Formula: C21H20N4O7 MolecularWeight: 440.4061

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)OCC4=CC5=C(C=C4[N+](=O)[O-])OCO5

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=O)OCC4=CC5=C(C=C4[N+](=O)[O-])OCO5

InChI

InChI=1S/C21H20N4O7/c26-20-22-15-3-1-2-4-16(15)24(20)14-5-7-23(8-6-14)21(27)30-11-13-9-18-19(32-12-31-18)10-17(13)25(28)29/h1-4,9-10,14H,5-8,11-12H2,(H,22,26)