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

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-nitrobenzoate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C19H16N2O6S MolecularWeight: 400.40514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O6S/c1-25-16-8-7-12(9-17(16)26-2)18-20-13(11-28-18)10-27-19(22)14-5-3-4-6-15(14)21(23)24/h3-9,11H,10H2,1-2H3