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

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methyl-2-nitro-benzoate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 3-methyl-2-nitro-benzoate CAS Name: 3-methyl-2-nitrobenzoic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 3-methyl-2-nitrobenzoate Traditional Name: 3-methyl-2-nitro-benzoic acid [2-(3,4-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=CC(=C(C=C3)OC)OC

Isomeric SMILES

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

InChI

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