4-[[2,6-bis(chloranyl)-4-nitro-phenoxy]methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[[2,6-bis(chloranyl)-4-nitro-phenoxy]methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(2,6-dichloro-4-nitro-phenoxy)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(2,6-dichloro-4-nitrophenoxy)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(2,6-dichloro-4-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(2,6-dichloro-4-nitro-phenoxy)methyl]thiazole-2-carboxylic acid Formula: C11H6Cl2N2O5S MolecularWeight: 349.14674

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)OCC2=CSC(=N2)C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1Cl)OCC2=CSC(=N2)C(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H6Cl2N2O5S/c12-7-1-6(15(18)19)2-8(13)9(7)20-3-5-4-21-10(14-5)11(16)17/h1-2,4H,3H2,(H,16,17)