4-nitro-5-(4-phenylpiperidin-1-yl)benzene-1,2-dicarbonitrile

Systemtic Name: 4-nitro-5-(4-phenylpiperidin-1-yl)benzene-1,2-dicarbonitrile Openeye Name: 4-nitro-5-(4-phenyl-1-piperidyl)phthalonitrile CAS Name: 4-nitro-5-(4-phenyl-1-piperidinyl)benzene-1,2-dicarbonitrile IUPAC Name: 4-nitro-5-(4-phenylpiperidin-1-yl)benzene-1,2-dicarbonitrile Traditional Name: 4-nitro-5-(4-phenylpiperidino)phthalonitrile Formula: C19H16N4O2 MolecularWeight: 332.35594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=CC=C2)C3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C2=CC=CC=C2)C3=C(C=C(C(=C3)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O2/c20-12-16-10-18(19(23(24)25)11-17(16)13-21)22-8-6-15(7-9-22)14-4-2-1-3-5-14/h1-5,10-11,15H,6-9H2