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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-(4-chloro-2-nitro-phenyl)piperazino]acetamide Formula: C19H19ClN4O5 MolecularWeight: 418.83096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O5/c20-13-1-3-15(16(9-13)24(26)27)23-7-5-22(6-8-23)11-19(25)21-14-2-4-17-18(10-14)29-12-28-17/h1-4,9-10H,5-8,11-12H2,(H,21,25)