O3-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O3-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[[5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methyl] ester O1-methyl ester IUPAC Name: 3-O-[[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[[5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl] ester O1-methyl ester Formula: C20H15FN2O7 MolecularWeight: 414.340703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(ON=C1COC(=O)C2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-])C3=CC=C(C=C3)F

InChI

InChI=1S/C20H15FN2O7/c1-11-17(22-30-18(11)12-3-5-15(21)6-4-12)10-29-20(25)14-7-13(19(24)28-2)8-16(9-14)23(26)27/h3-9H,10H2,1-2H3