diethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-nitrophenyl)propanedioate

Systemtic Name: diethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-nitrophenyl)propanedioate Openeye Name: diethyl 2-[(3,5-dimethylisoxazol-4-yl)methyl]-2-(4-nitrophenyl)propanedioate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-(4-nitrophenyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(4-nitrophenyl)propanedioate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-2-(4-nitrophenyl)malonic acid diethyl ester Formula: C19H22N2O7 MolecularWeight: 390.38718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(ON=C1C)C)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCOC(=O)C(CC1=C(ON=C1C)C)(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C19H22N2O7/c1-5-26-17(22)19(18(23)27-6-2,11-16-12(3)20-28-13(16)4)14-7-9-15(10-8-14)21(24)25/h7-10H,5-6,11H2,1-4H3