[1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(5,6-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-(5,6-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(5,6-dimethyl-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-(5,6-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5,6-dimethylbenzofuran-3-yl)acetic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H19FN2O6 MolecularWeight: 414.383763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OC(C)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CO2)CC(=O)OC(C)C(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-])C

InChI

InChI=1S/C21H19FN2O6/c1-11-6-16-14(10-29-19(16)7-12(11)2)8-20(25)30-13(3)21(26)23-15-4-5-17(22)18(9-15)24(27)28/h4-7,9-10,13H,8H2,1-3H3,(H,23,26)