[2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [2-[(4-fluoranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-chloranyl-5-methoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-(4-fluoro-3-nitro-anilino)-2-oxo-ethyl] 3-chloro-4-isobutoxy-5-methoxy-benzoate CAS Name: 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoic acid [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 3-chloro-5-methoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-chloro-4-isobutoxy-5-methoxy-benzoic acid [2-(4-fluoro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C20H20ClFN2O7 MolecularWeight: 454.833403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1Cl)C(=O)OCC(=O)NC2=CC(=C(C=C2)F)[N+](=O)[O-])OC

InChI

InChI=1S/C20H20ClFN2O7/c1-11(2)9-30-19-14(21)6-12(7-17(19)29-3)20(26)31-10-18(25)23-13-4-5-15(22)16(8-13)24(27)28/h4-8,11H,9-10H2,1-3H3,(H,23,25)