4-(2-methylpiperidin-1-yl)-3,5-dinitro-benzenecarbonitrile

Systemtic Name: 4-(2-methylpiperidin-1-yl)-3,5-dinitro-benzenecarbonitrile Openeye Name: 4-(2-methyl-1-piperidyl)-3,5-dinitro-benzonitrile CAS Name: 4-(2-methyl-1-piperidinyl)-3,5-dinitrobenzonitrile IUPAC Name: 4-(2-methylpiperidin-1-yl)-3,5-dinitrobenzonitrile Traditional Name: 4-(2-methylpiperidino)-3,5-dinitro-benzonitrile Formula: C13H14N4O4 MolecularWeight: 290.27466

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C=C(C=C2[N+](=O)[O-])C#N)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C=C(C=C2[N+](=O)[O-])C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H14N4O4/c1-9-4-2-3-5-15(9)13-11(16(18)19)6-10(8-14)7-12(13)17(20)21/h6-7,9H,2-5H2,1H3