N-methyl-3-nitro-N-[(4-prop-2-enoxyphenyl)methyl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-methyl-3-nitro-N-[(4-prop-2-enoxyphenyl)methyl]-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[(4-allyloxyphenyl)methyl]-N-methyl-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-methyl-3-nitro-N-[(4-prop-2-enoxyphenyl)methyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-methyl-3-nitro-N-[(4-prop-2-enoxyphenyl)methyl]-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(4-allyloxybenzyl)-N-methyl-3-nitro-4-pyrrolidino-benzamide Formula: C22H25N3O4 MolecularWeight: 395.4516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4/c1-3-14-29-19-9-6-17(7-10-19)16-23(2)22(26)18-8-11-20(21(15-18)25(27)28)24-12-4-5-13-24/h3,6-11,15H,1,4-5,12-14,16H2,2H3