4-[(E)-(7-fluoranyl-5-oxidanylidene-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]-2-methoxy-6-nitro-phenolate

Systemtic Name: 4-[(E)-(7-fluoranyl-5-oxidanylidene-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]-2-methoxy-6-nitro-phenolate Openeye Name: 4-[(E)-(7-fluoro-5-oxo-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]-2-methoxy-6-nitro-phenolate CAS Name: 4-[(E)-(7-fluoro-5-oxo-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]-2-methoxy-6-nitrophenolate IUPAC Name: 4-[(E)-(7-fluoro-5-oxo-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]-2-methoxy-6-nitrophenolate Traditional Name: 4-[(E)-(7-fluoro-5-keto-2,3-dihydro-1-benzoxepin-4-ylidene)methyl]-2-methoxy-6-nitro-phenolate Formula: C18H13FNO6- MolecularWeight: 358.297323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C=C2CCOC3=C(C2=O)C=C(C=C3)F

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])/C=C/2\CCOC3=C(C2=O)C=C(C=C3)F

InChI

InChI=1S/C18H14FNO6/c1-25-16-8-10(7-14(18(16)22)20(23)24)6-11-4-5-26-15-3-2-12(19)9-13(15)17(11)21/h2-3,6-9,22H,4-5H2,1H3/p-1/b11-6+