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

Systemtic Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-(3,4-dimethoxyphenyl)-4-thiazolyl]methyl ester IUPAC Name: [2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-(3,4-dimethoxyphenyl)thiazol-4-yl]methyl ester Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CSC(=N2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H19N3O6S/c1-21-16-6-5-14(23(25)26)9-15(16)20(24)29-10-13-11-30-19(22-13)12-4-7-17(27-2)18(8-12)28-3/h4-9,11,21H,10H2,1-3H3