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

Systemtic Name: dimethyl 2-[3-(4-nitrophenyl)-5-phenyl-1,2-oxazol-4-yl]propanedioate Openeye Name: dimethyl 2-[3-(4-nitrophenyl)-5-phenyl-isoxazol-4-yl]propanedioate CAS Name: 2-[3-(4-nitrophenyl)-5-phenyl-4-isoxazolyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[3-(4-nitrophenyl)-5-phenyl-1,2-oxazol-4-yl]propanedioate Traditional Name: 2-[3-(4-nitrophenyl)-5-phenyl-isoxazol-4-yl]malonic acid dimethyl ester Formula: C20H16N2O7 MolecularWeight: 396.35024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=C(ON=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C(C1=C(ON=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H16N2O7/c1-27-19(23)16(20(24)28-2)15-17(12-8-10-14(11-9-12)22(25)26)21-29-18(15)13-6-4-3-5-7-13/h3-11,16H,1-2H3