[1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethoxy-4-methyl-benzoate

Systemtic Name: [1-[(4-fluoranyl-3-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3,5-dimethoxy-4-methyl-benzoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-1-methyl-2-oxo-ethyl] 3,5-dimethoxy-4-methyl-benzoate CAS Name: 3,5-dimethoxy-4-methylbenzoic acid [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-fluoro-3-nitroanilino)-1-oxopropan-2-yl] 3,5-dimethoxy-4-methylbenzoate Traditional Name: 3,5-dimethoxy-4-methyl-benzoic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C19H19FN2O7 MolecularWeight: 406.361763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)OC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)OC(C)C(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])OC

InChI

InChI=1S/C19H19FN2O7/c1-10-16(27-3)7-12(8-17(10)28-4)19(24)29-11(2)18(23)21-13-5-6-14(20)15(9-13)22(25)26/h5-9,11H,1-4H3,(H,21,23)