N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-methanoylpiperidin-4-yl)amino]-5-nitro-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-methanoylpiperidin-4-yl)amino]-5-nitro-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-formyl-4-piperidyl)amino]-5-nitro-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-formyl-4-piperidinyl)amino]-5-nitrobenzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(1-formylpiperidin-4-yl)amino]-5-nitrobenzamide Traditional Name: 2-[(1-formyl-4-piperidyl)amino]-5-nitro-N-piperonyl-benzamide Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4)C=O

Isomeric SMILES

C1CN(CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=C(C=C3)OCO4)C=O

InChI

InChI=1S/C21H22N4O6/c26-12-24-7-5-15(6-8-24)23-18-3-2-16(25(28)29)10-17(18)21(27)22-11-14-1-4-19-20(9-14)31-13-30-19/h1-4,9-10,12,15,23H,5-8,11,13H2,(H,22,27)