[5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 4-chloranyl-3-nitro-benzoate

Systemtic Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 4-chloranyl-3-nitro-benzoate Openeye Name: [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [5-(3,4-dimethoxyphenyl)-3-isoxazolyl]methyl ester IUPAC Name: [5-(3,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [5-(3,4-dimethoxyphenyl)isoxazol-3-yl]methyl ester Formula: C19H15ClN2O7 MolecularWeight: 418.7846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClN2O7/c1-26-16-6-4-11(8-18(16)27-2)17-9-13(21-29-17)10-28-19(23)12-3-5-14(20)15(7-12)22(24)25/h3-9H,10H2,1-2H3