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

Systemtic Name: [4-(4,5-dimethoxy-2-nitro-phenyl)carbonylpiperazin-1-yl]-phenyl-methanone Openeye Name: [4-(4,5-dimethoxy-2-nitro-benzoyl)piperazin-1-yl]-phenyl-methanone CAS Name: [4-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(4,5-dimethoxy-2-nitrobenzoyl)piperazin-1-yl]-phenylmethanone Traditional Name: [4-(4,5-dimethoxy-2-nitro-benzoyl)piperazino]-phenyl-methanone Formula: C20H21N3O6 MolecularWeight: 399.39724

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O6/c1-28-17-12-15(16(23(26)27)13-18(17)29-2)20(25)22-10-8-21(9-11-22)19(24)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3