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

Systemtic Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-chloranyl-2-nitro-benzoate Openeye Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H14ClN3O7 MolecularWeight: 419.77266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C18H14ClN3O7/c1-26-14-6-3-10(7-15(14)27-2)17-20-16(29-21-17)9-28-18(23)12-8-11(19)4-5-13(12)22(24)25/h3-8H,9H2,1-2H3