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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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