N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-2-(piperidin-4-ylamino)benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-2-(piperidin-4-ylamino)benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-2-(4-piperidylamino)benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-2-(4-piperidinylamino)benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-nitro-2-(piperidin-4-ylamino)benzamide Traditional Name: 5-nitro-2-(4-piperidylamino)-N-piperonyl-benzamide Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CNCCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N4O5/c25-20(22-11-13-1-4-18-19(9-13)29-12-28-18)16-10-15(24(26)27)2-3-17(16)23-14-5-7-21-8-6-14/h1-4,9-10,14,21,23H,5-8,11-12H2,(H,22,25)