1,3-benzodioxol-5-yl-[4-(2-methoxy-5-nitro-phenyl)carbonylpiperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(2-methoxy-5-nitro-phenyl)carbonylpiperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(2-methoxy-5-nitro-benzoyl)piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[(2-methoxy-5-nitrophenyl)-oxomethyl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(2-methoxy-5-nitrobenzoyl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(2-methoxy-5-nitro-benzoyl)piperazino]methanone Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O7/c1-28-16-5-3-14(23(26)27)11-15(16)20(25)22-8-6-21(7-9-22)19(24)13-2-4-17-18(10-13)30-12-29-17/h2-5,10-11H,6-9,12H2,1H3