4-[(E)-3-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-3-(3-fluoranyl-4-pyrrolidin-1-yl-phenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(3-fluoro-4-pyrrolidin-1-yl-phenyl)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-[3-fluoro-4-(1-pyrrolidinyl)phenyl]-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(3-fluoro-4-pyrrolidino-phenyl)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C20H18FN2O5- MolecularWeight: 385.365723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[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/p-1/b7-4+