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

Systemtic Name: 4-[(E)-3-(3-fluoranyl-4-morpholin-4-yl-phenyl)-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(3-fluoro-4-morpholino-phenyl)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-[3-fluoro-4-(4-morpholinyl)phenyl]-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-(3-fluoro-4-morpholin-4-ylphenyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(3-fluoro-4-morpholino-phenyl)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C20H18FN2O6- MolecularWeight: 401.365123

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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)N3CCOCC3)F

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/C(=O)C2=CC(=C(C=C2)N3CCOCC3)F

InChI

InChI=1S/C20H19FN2O6/c1-28-19-11-13(10-17(20(19)25)23(26)27)2-5-18(24)14-3-4-16(15(21)12-14)22-6-8-29-9-7-22/h2-5,10-12,25H,6-9H2,1H3/p-1/b5-2+