[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4,5-dimethoxy-2-nitro-phenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-(4,5-dimethoxy-2-nitrophenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(4,5-dimethoxy-2-nitrophenyl)methanone Traditional Name: (4,5-dimethoxy-2-nitro-phenyl)-(4-piperonylpiperazino)methanone Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23N3O7/c1-28-18-10-15(16(24(26)27)11-19(18)29-2)21(25)23-7-5-22(6-8-23)12-14-3-4-17-20(9-14)31-13-30-17/h3-4,9-11H,5-8,12-13H2,1-2H3