2-(3,4-dimethoxyphenyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(3,4-dimethoxyphenyl)-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-(3,4-dimethoxyphenyl)-N-[(2-hydroxy-5-nitro-phenyl)methyl]thiazole-4-carboxamide CAS Name: 2-(3,4-dimethoxyphenyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-4-thiazolecarboxamide IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[(2-hydroxy-5-nitrophenyl)methyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-(3,4-dimethoxyphenyl)-N-(2-hydroxy-5-nitro-benzyl)thiazole-4-carboxamide Formula: C19H17N3O6S MolecularWeight: 415.41978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O)OC

InChI

InChI=1S/C19H17N3O6S/c1-27-16-6-3-11(8-17(16)28-2)19-21-14(10-29-19)18(24)20-9-12-7-13(22(25)26)4-5-15(12)23/h3-8,10,23H,9H2,1-2H3,(H,20,24)