N-(2,4-dimethylphenyl)-3,5-dinitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-(2,4-dimethylphenyl)-3,5-dinitro-2-piperidin-1-yl-benzamide Openeye Name: N-(2,4-dimethylphenyl)-3,5-dinitro-2-(1-piperidyl)benzamide CAS Name: N-(2,4-dimethylphenyl)-3,5-dinitro-2-(1-piperidinyl)benzamide IUPAC Name: N-(2,4-dimethylphenyl)-3,5-dinitro-2-piperidin-1-ylbenzamide Traditional Name: N-(2,4-dimethylphenyl)-3,5-dinitro-2-piperidino-benzamide Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC(=C2N3CCCCC3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=CC(=C2N3CCCCC3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C20H22N4O5/c1-13-6-7-17(14(2)10-13)21-20(25)16-11-15(23(26)27)12-18(24(28)29)19(16)22-8-4-3-5-9-22/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,21,25)