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

Systemtic Name: 2-[[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[2-(3,4-dimethoxyphenyl)thiazole-4-carbonyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[2-(3,4-dimethoxyphenyl)-1,3-thiazole-4-carbonyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[2-(3,4-dimethoxyphenyl)thiazole-4-carbonyl]amino]methyl]-4-nitro-phenolate Formula: C19H16N3O6S- MolecularWeight: 414.41184

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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)/p-1