4-(3-methylpiperidin-1-yl)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(3-methylpiperidin-1-yl)-3-nitro-benzenecarbonitrile Openeye Name: 4-(3-methyl-1-piperidyl)-3-nitro-benzonitrile CAS Name: 4-(3-methyl-1-piperidinyl)-3-nitrobenzonitrile IUPAC Name: 4-(3-methylpiperidin-1-yl)-3-nitrobenzonitrile Traditional Name: 4-(3-methylpiperidino)-3-nitro-benzonitrile Formula: C13H15N3O2 MolecularWeight: 245.2771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O2/c1-10-3-2-6-15(9-10)12-5-4-11(8-14)7-13(12)16(17)18/h4-5,7,10H,2-3,6,9H2,1H3