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

Systemtic Name: 4-[(E)-3-[2,6-bis(fluoranyl)phenyl]-3-oxidanylidene-prop-1-enyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-3-(2,6-difluorophenyl)-3-oxo-prop-1-enyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-3-(2,6-difluorophenyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-3-(2,6-difluorophenyl)-3-oxoprop-1-enyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-3-(2,6-difluorophenyl)-3-keto-prop-1-enyl]-2-methoxy-6-nitro-phenolate Formula: C16H10F2NO5- MolecularWeight: 334.251106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=CC(=O)C2=C(C=CC=C2F)F

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/C(=O)C2=C(C=CC=C2F)F

InChI

InChI=1S/C16H11F2NO5/c1-24-14-8-9(7-12(16(14)21)19(22)23)5-6-13(20)15-10(17)3-2-4-11(15)18/h2-8,21H,1H3/p-1/b6-5+