N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-[(4-methyl-1-piperidyl)methyl]phenyl]methyl]-3,5-dinitro-benzamide CAS Name: N-[[4-[(4-methyl-1-piperidinyl)methyl]phenyl]methyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3,5-dinitrobenzamide Traditional Name: N-[4-[(4-methylpiperidino)methyl]benzyl]-3,5-dinitro-benzamide Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5/c1-15-6-8-23(9-7-15)14-17-4-2-16(3-5-17)13-22-21(26)18-10-19(24(27)28)12-20(11-18)25(29)30/h2-5,10-12,15H,6-9,13-14H2,1H3,(H,22,26)