[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 5-nitro-2-piperidin-1-yl-benzoate

Systemtic Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-propyl] 5-nitro-2-piperidin-1-yl-benzoate Openeye Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-propyl] 5-nitro-2-(1-piperidyl)benzoate CAS Name: 5-nitro-2-(1-piperidinyl)benzoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-oxopropyl] 5-nitro-2-piperidin-1-ylbenzoate Traditional Name: 5-nitro-2-piperidino-benzoic acid [3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)-2-keto-propyl] ester Formula: C23H21N5O5 MolecularWeight: 447.44334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C(=C3NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C23H21N5O5/c24-13-17(22-25-18-6-2-3-7-19(18)26-22)21(29)14-33-23(30)16-12-15(28(31)32)8-9-20(16)27-10-4-1-5-11-27/h2-3,6-9,12,25-26H,1,4-5,10-11,14H2