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

Systemtic Name: 4-[(2-bromanyl-4-chloranyl-6-nitro-phenoxy)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(2-bromo-4-chloro-6-nitro-phenoxy)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(2-bromo-4-chloro-6-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(2-bromo-4-chloro-6-nitro-phenoxy)methyl]thiazole-2-carboxylic acid Formula: C11H6BrClN2O5S MolecularWeight: 393.59774

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Br)OCC2=CSC(=N2)C(=O)O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=C(C=C(C(=C1Br)OCC2=CSC(=N2)C(=O)O)[N+](=O)[O-])Cl

InChI

InChI=1S/C11H6BrClN2O5S/c12-7-1-5(13)2-8(15(18)19)9(7)20-3-6-4-21-10(14-6)11(16)17/h1-2,4H,3H2,(H,16,17)