2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-chloranyl-5-nitro-phenyl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-chloranyl-5-nitro-phenyl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-chloro-5-nitro-phenyl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-N-(2-chloro-5-nitrophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-(2-chloro-5-nitrophenyl)acetamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-2-(4-piperonylpiperazino)acetamide Formula: C20H21ClN4O5 MolecularWeight: 432.85754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H21ClN4O5/c21-16-3-2-15(25(27)28)10-17(16)22-20(26)12-24-7-5-23(6-8-24)11-14-1-4-18-19(9-14)30-13-29-18/h1-4,9-10H,5-8,11-13H2,(H,22,26)