[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-ethoxy-5-methoxy-2-nitro-benzoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C20H20FNO7 MolecularWeight: 405.373703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCCCC(=O)C2=CC=C(C=C2)F)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCCCC(=O)C2=CC=C(C=C2)F)OC

InChI

InChI=1S/C20H20FNO7/c1-3-28-19-12-16(22(25)26)15(11-18(19)27-2)20(24)29-10-4-5-17(23)13-6-8-14(21)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3