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

Systemtic Name: (E)-1-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-en-1-one Openeye Name: (E)-1-(3-fluoro-4-pyrrolidin-1-yl-phenyl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-en-1-one CAS Name: (E)-1-[3-fluoro-4-(1-pyrrolidinyl)phenyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-en-1-one Traditional Name: (E)-1-(3-fluoro-4-pyrrolidino-phenyl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-en-1-one Formula: C20H19FN2O5 MolecularWeight: 386.373663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=CC(=O)C2=CC(=C(C=C2)N3CCCC3)F

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/C(=O)C2=CC(=C(C=C2)N3CCCC3)F

InChI

InChI=1S/C20H19FN2O5/c1-28-19-11-13(10-17(20(19)25)23(26)27)4-7-18(24)14-5-6-16(15(21)12-14)22-8-2-3-9-22/h4-7,10-12,25H,2-3,8-9H2,1H3/b7-4+