2-[[(7-fluoranyl-3-methyl-1-benzofuran-2-yl)carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(7-fluoranyl-3-methyl-1-benzofuran-2-yl)carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[(7-fluoro-3-methyl-benzofuran-2-carbonyl)amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(7-fluoro-3-methyl-2-benzofuranyl)-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]methyl]-4-nitrophenolate Traditional Name: 2-[[(7-fluoro-3-methyl-benzofuran-2-carbonyl)amino]methyl]-4-nitro-phenolate Formula: C17H12FN2O5- MolecularWeight: 343.285983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2F)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2F)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H13FN2O5/c1-9-12-3-2-4-13(18)16(12)25-15(9)17(22)19-8-10-7-11(20(23)24)5-6-14(10)21/h2-7,21H,8H2,1H3,(H,19,22)/p-1