5-nitro-2-(1-phenethylpiperidin-4-yl)isoindole-1,3-dione

Systemtic Name: 5-nitro-2-(1-phenethylpiperidin-4-yl)isoindole-1,3-dione Openeye Name: 5-nitro-2-(1-phenethyl-4-piperidyl)isoindoline-1,3-dione CAS Name: 5-nitro-2-(1-phenethyl-4-piperidinyl)isoindole-1,3-dione IUPAC Name: 5-nitro-2-(1-phenethylpiperidin-4-yl)isoindole-1,3-dione Traditional Name: 5-nitro-2-(1-phenethyl-4-piperidyl)isoindoline-1,3-quinone Formula: C21H21N3O4 MolecularWeight: 379.40914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O4/c25-20-18-7-6-17(24(27)28)14-19(18)21(26)23(20)16-9-12-22(13-10-16)11-8-15-4-2-1-3-5-15/h1-7,14,16H,8-13H2