(E)-3-(4,5-dimethoxy-2-nitro-phenyl)-1-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(4,5-dimethoxy-2-nitro-phenyl)-1-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)prop-2-en-1-one Openeye Name: (E)-3-(4,5-dimethoxy-2-nitro-phenyl)-1-(3-fluoro-4-pyrrolidin-1-yl-phenyl)prop-2-en-1-one CAS Name: (E)-3-(4,5-dimethoxy-2-nitrophenyl)-1-[3-fluoro-4-(1-pyrrolidinyl)phenyl]-2-propen-1-one IUPAC Name: (E)-3-(4,5-dimethoxy-2-nitrophenyl)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(4,5-dimethoxy-2-nitro-phenyl)-1-(3-fluoro-4-pyrrolidino-phenyl)prop-2-en-1-one Formula: C21H21FN2O5 MolecularWeight: 400.400243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C=CC(=O)C2=CC(=C(C=C2)N3CCCC3)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)/C=C/C(=O)C2=CC(=C(C=C2)N3CCCC3)F)[N+](=O)[O-])OC

InChI

InChI=1S/C21H21FN2O5/c1-28-20-12-14(18(24(26)27)13-21(20)29-2)6-8-19(25)15-5-7-17(16(22)11-15)23-9-3-4-10-23/h5-8,11-13H,3-4,9-10H2,1-2H3/b8-6+