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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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