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

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 5-chloranyl-2-nitro-benzoate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C19H15ClN2O6S MolecularWeight: 434.8502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)COC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C19H15ClN2O6S/c1-26-16-6-3-11(7-17(16)27-2)18-21-13(10-29-18)9-28-19(23)14-8-12(20)4-5-15(14)22(24)25/h3-8,10H,9H2,1-2H3