[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 4-ethoxy-3-nitro-benzoate

Systemtic Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 4-ethoxy-3-nitro-benzoate Openeye Name: [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl ester Formula: C20H17FN2O6 MolecularWeight: 400.357183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=NOC(=C2C)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=NOC(=C2C)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C20H17FN2O6/c1-3-27-18-9-6-14(10-17(18)23(25)26)20(24)28-11-16-12(2)19(29-22-16)13-4-7-15(21)8-5-13/h4-10H,3,11H2,1-2H3