N-[[2-(dimethylaminomethyl)phenyl]methyl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[2-(dimethylaminomethyl)phenyl]methyl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(dimethylaminomethyl)benzyl]-5-nitro-2-pyrrolidino-benzamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=CC=C1CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CN(C)CC1=CC=CC=C1CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C21H26N4O3/c1-23(2)15-17-8-4-3-7-16(17)14-22-21(26)19-13-18(25(27)28)9-10-20(19)24-11-5-6-12-24/h3-4,7-10,13H,5-6,11-12,14-15H2,1-2H3,(H,22,26)