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

Systemtic Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methyl-2-nitro-benzoate Openeye Name: [2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-(2,3-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-(2,3-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=CSC(=N2)C3=C(C(=CC=C3)OC)OC

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)OCC2=CSC(=N2)C3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C20H18N2O6S/c1-12-6-4-7-14(17(12)22(24)25)20(23)28-10-13-11-29-19(21-13)15-8-5-9-16(26-2)18(15)27-3/h4-9,11H,10H2,1-3H3