N-[3-(3-methylphenoxy)propyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[3-(3-methylphenoxy)propyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-(3-methylphenoxy)propyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-(3-methylphenoxy)propyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-(3-methylphenoxy)propyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-(3-methylphenoxy)propyl]-3-nitro-4-pyrrolidino-benzamide Formula: C21H25N3O4 MolecularWeight: 383.4409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-16-6-4-7-18(14-16)28-13-5-10-22-21(25)17-8-9-19(20(15-17)24(26)27)23-11-2-3-12-23/h4,6-9,14-15H,2-3,5,10-13H2,1H3,(H,22,25)