[1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(6-methoxy-1-benzofuran-3-yl)ethanoate

Systemtic Name: [1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(6-methoxy-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(6-methoxybenzofuran-3-yl)acetate CAS Name: 2-(6-methoxy-3-benzofuranyl)acetic acid [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 2-(6-methoxy-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-methoxybenzofuran-3-yl)acetic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H17FN2O7 MolecularWeight: 416.356583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)CC2=COC3=C2C=CC(=C3)OC

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)CC2=COC3=C2C=CC(=C3)OC

InChI

InChI=1S/C20H17FN2O7/c1-11(20(25)22-13-3-6-16(21)17(8-13)23(26)27)30-19(24)7-12-10-29-18-9-14(28-2)4-5-15(12)18/h3-6,8-11H,7H2,1-2H3,(H,22,25)