5-[(5-fluoranyl-2-nitro-phenoxy)methyl]-2-methyl-furan-3-carboxylic acid

Systemtic Name: 5-[(5-fluoranyl-2-nitro-phenoxy)methyl]-2-methyl-furan-3-carboxylic acid Openeye Name: 5-[(5-fluoro-2-nitro-phenoxy)methyl]-2-methyl-furan-3-carboxylic acid CAS Name: 5-[(5-fluoro-2-nitrophenoxy)methyl]-2-methyl-3-furancarboxylic acid IUPAC Name: 5-[(5-fluoro-2-nitrophenoxy)methyl]-2-methylfuran-3-carboxylic acid Traditional Name: 5-[(5-fluoro-2-nitro-phenoxy)methyl]-2-methyl-3-furoic acid Formula: C13H10FNO6 MolecularWeight: 295.220003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC2=C(C=CC(=C2)F)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C=C(O1)COC2=C(C=CC(=C2)F)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C13H10FNO6/c1-7-10(13(16)17)5-9(21-7)6-20-12-4-8(14)2-3-11(12)15(18)19/h2-5H,6H2,1H3,(H,16,17)