3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: 3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid 3-(2-oxo-3H-benzimidazol-1-yl)propyl ester IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)propyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid 3-(2-keto-3H-benzimidazol-1-yl)propyl ester Formula: C22H24N4O5 MolecularWeight: 424.44976

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCCN3C4=CC=CC=C4NC3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCCCN3C4=CC=CC=C4NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O5/c27-21(31-14-6-13-25-18-8-3-2-7-17(18)23-22(25)28)16-9-10-19(20(15-16)26(29)30)24-11-4-1-5-12-24/h2-3,7-10,15H,1,4-6,11-14H2,(H,23,28)