[1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-propan-2-yloxyphenyl)carbonylamino]ethanoate

Systemtic Name: [1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-propan-2-yloxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 2-[(4-isopropoxybenzoyl)amino]acetate CAS Name: 2-[[oxo-(4-propan-2-yloxyphenyl)methyl]amino]acetic acid [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate Traditional Name: 2-[(4-isopropoxybenzoyl)amino]acetic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H22FN3O7 MolecularWeight: 447.413683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C21H22FN3O7/c1-12(2)31-16-7-4-14(5-8-16)21(28)23-11-19(26)32-13(3)20(27)24-15-6-9-17(22)18(10-15)25(29)30/h4-10,12-13H,11H2,1-3H3,(H,23,28)(H,24,27)