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

Systemtic Name: N-[2-[4-(4-chloranyl-3-nitro-phenyl)carbonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(4-chloro-3-nitro-benzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[(4-chloro-3-nitrophenyl)-oxomethyl]-1-piperazinyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(4-chloro-3-nitrobenzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(4-chloro-3-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=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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