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

Systemtic Name: phenyl-[4-(3,4,5-trimethoxy-2-nitro-phenyl)carbonylpiperazin-1-yl]methanone Openeye Name: phenyl-[4-(3,4,5-trimethoxy-2-nitro-benzoyl)piperazin-1-yl]methanone CAS Name: [4-[oxo-(3,4,5-trimethoxy-2-nitrophenyl)methyl]-1-piperazinyl]-phenylmethanone IUPAC Name: phenyl-[4-(3,4,5-trimethoxy-2-nitrobenzoyl)piperazin-1-yl]methanone Traditional Name: phenyl-[4-(3,4,5-trimethoxy-2-nitro-benzoyl)piperazino]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)C(=O)C3=CC=CC=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O7/c1-29-16-13-15(17(24(27)28)19(31-3)18(16)30-2)21(26)23-11-9-22(10-12-23)20(25)14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3