N-[2-[4-(2-chloranyl-5-nitro-phenyl)carbonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-(2-chloranyl-5-nitro-phenyl)carbonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(2-chloro-5-nitro-benzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[(2-chloro-5-nitrophenyl)-oxomethyl]-1-piperazinyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(2-chloro-5-nitrobenzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(2-chloro-5-nitro-benzoyl)piperazino]ethyl]-piperonylamide Formula: C21H21ClN4O6 MolecularWeight: 460.86764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1CCNC(=O)C2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H21ClN4O6/c22-17-3-2-15(26(29)30)12-16(17)21(28)25-9-7-24(8-10-25)6-5-23-20(27)14-1-4-18-19(11-14)32-13-31-18/h1-4,11-12H,5-10,13H2,(H,23,27)