N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-nitro-4-pyrrolidino-benzamide Formula: C22H27N3O4 MolecularWeight: 397.46748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-16-12-17(2)14-19(13-16)29-11-10-23(3)22(26)18-6-7-20(21(15-18)25(27)28)24-8-4-5-9-24/h6-7,12-15H,4-5,8-11H2,1-3H3