N-[2-(4-methylphenoxy)ethyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[2-(4-methylphenoxy)ethyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[2-(4-methylphenoxy)ethyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[2-(4-methylphenoxy)ethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[2-(4-methylphenoxy)ethyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[2-(4-methylphenoxy)ethyl]-3-nitro-4-piperidino-benzamide Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCNC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)OCCNC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-16-5-8-18(9-6-16)28-14-11-22-21(25)17-7-10-19(20(15-17)24(26)27)23-12-3-2-4-13-23/h5-10,15H,2-4,11-14H2,1H3,(H,22,25)