2-[4-(4,5-dimethoxy-2-nitro-phenyl)carbonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-(4,5-dimethoxy-2-nitro-phenyl)carbonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-(4,5-dimethoxy-2-nitro-benzoyl)piperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-[(4,5-dimethoxy-2-nitrophenyl)-oxomethyl]-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-(4,5-dimethoxy-2-nitrobenzoyl)piperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-(4,5-dimethoxy-2-nitro-benzoyl)piperazino]-6-fluoro-benzonitrile Formula: C20H19FN4O5 MolecularWeight: 414.387063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN4O5/c1-29-18-10-13(17(25(27)28)11-19(18)30-2)20(26)24-8-6-23(7-9-24)16-5-3-4-15(21)14(16)12-22/h3-5,10-11H,6-9H2,1-2H3