[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-(4-chloranyl-2-nitro-phenoxy)-3-methoxy-benzoate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoate CAS Name: 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] 4-(4-chloro-2-nitrophenoxy)-3-methoxybenzoate Traditional Name: 4-(4-chloro-2-nitro-phenoxy)-3-methoxy-benzoic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C22H16ClFN2O7 MolecularWeight: 474.823043

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)F)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)F)OC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H16ClFN2O7/c1-31-20-10-13(22(28)32-12-21(27)25-16-6-4-15(24)5-7-16)2-8-19(20)33-18-9-3-14(23)11-17(18)26(29)30/h2-11H,12H2,1H3,(H,25,27)