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

Systemtic Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-(2,3-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)C3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)C3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C21H21N3O6S/c1-23(2)17-9-8-14(24(26)27)10-16(17)21(25)30-11-13-12-31-20(22-13)15-6-5-7-18(28-3)19(15)29-4/h5-10,12H,11H2,1-4H3