1-[4-(2,5-dimethylpyrrol-1-yl)-2-nitro-phenyl]piperidine

Systemtic Name: 1-[4-(2,5-dimethylpyrrol-1-yl)-2-nitro-phenyl]piperidine Openeye Name: 1-[4-(2,5-dimethylpyrrol-1-yl)-2-nitro-phenyl]piperidine CAS Name: 1-[4-(2,5-dimethyl-1-pyrrolyl)-2-nitrophenyl]piperidine IUPAC Name: 1-[4-(2,5-dimethylpyrrol-1-yl)-2-nitrophenyl]piperidine Traditional Name: 1-[4-(2,5-dimethylpyrrol-1-yl)-2-nitro-phenyl]piperidine Formula: C17H21N3O2 MolecularWeight: 299.36754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(N1C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C17H21N3O2/c1-13-6-7-14(2)19(13)15-8-9-16(17(12-15)20(21)22)18-10-4-3-5-11-18/h6-9,12H,3-5,10-11H2,1-2H3