diethyl 2-[1-(4-chlorophenyl)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethyl]propanedioate

Systemtic Name: diethyl 2-[1-(4-chlorophenyl)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethyl]propanedioate Openeye Name: diethyl 2-[1-(4-chlorophenyl)-2-(3-methyl-4-nitro-isoxazol-5-yl)ethyl]propanedioate CAS Name: 2-[1-(4-chlorophenyl)-2-(3-methyl-4-nitro-5-isoxazolyl)ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1-(4-chlorophenyl)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethyl]propanedioate Traditional Name: 2-[1-(4-chlorophenyl)-2-(3-methyl-4-nitro-isoxazol-5-yl)ethyl]malonic acid diethyl ester Formula: C19H21ClN2O7 MolecularWeight: 424.83224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(CC1=C(C(=NO1)C)[N+](=O)[O-])C2=CC=C(C=C2)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(CC1=C(C(=NO1)C)[N+](=O)[O-])C2=CC=C(C=C2)Cl)C(=O)OCC

InChI

InChI=1S/C19H21ClN2O7/c1-4-27-18(23)16(19(24)28-5-2)14(12-6-8-13(20)9-7-12)10-15-17(22(25)26)11(3)21-29-15/h6-9,14,16H,4-5,10H2,1-3H3