methyl 4-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(3-chloro-4-fluoro-anilino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C16H12ClFN2O6 MolecularWeight: 382.727683

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)F)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NC2=CC(=C(C=C2)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClFN2O6/c1-25-16(22)9-2-5-14(13(6-9)20(23)24)26-8-15(21)19-10-3-4-12(18)11(17)7-10/h2-7H,8H2,1H3,(H,19,21)