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

Systemtic Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-bromanyl-3-nitro-benzoate Openeye Name: [2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-(2,3-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C19H15BrN2O6S MolecularWeight: 479.3012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OC)C2=NC(=CS2)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H15BrN2O6S/c1-26-16-5-3-4-13(17(16)27-2)18-21-12(10-29-18)9-28-19(23)11-6-7-14(20)15(8-11)22(24)25/h3-8,10H,9H2,1-2H3