[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(4-nitrophenyl)ethanoate

Systemtic Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(4-nitrophenyl)ethanoate Openeye Name: [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl 2-(4-nitrophenyl)acetate CAS Name: 2-(4-nitrophenyl)acetic acid [5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 2-(4-nitrophenyl)acetate Traditional Name: 2-(4-nitrophenyl)acetic acid [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl ester Formula: C20H18N2O7 MolecularWeight: 398.36612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC(=NO2)COC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC(=NO2)COC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H18N2O7/c1-26-17-8-5-14(10-19(17)27-2)18-11-15(21-29-18)12-28-20(23)9-13-3-6-16(7-4-13)22(24)25/h3-8,10-11H,9,12H2,1-2H3