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

Systemtic Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl ester Formula: C20H18FN3O5 MolecularWeight: 399.372423

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN3O5/c1-12-17(22-29-19(12)13-4-6-14(21)7-5-13)11-28-20(25)16-10-15(24(26)27)8-9-18(16)23(2)3/h4-10H,11H2,1-3H3