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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O7/c1-4-26-18(22)16(19(23)27-5-2)14(13-9-7-6-8-10-13)11-15-17(21(24)25)12(3)20-28-15/h6-10,14,16H,4-5,11H2,1-3H3