4-[(2-methyl-5-nitro-phenoxy)methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[(2-methyl-5-nitro-phenoxy)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(2-methyl-5-nitro-phenoxy)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(2-methyl-5-nitrophenoxy)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(2-methyl-5-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(2-methyl-5-nitro-phenoxy)methyl]thiazole-2-carboxylic acid Formula: C12H10N2O5S MolecularWeight: 294.2832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])OCC2=CSC(=N2)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])OCC2=CSC(=N2)C(=O)O

InChI

InChI=1S/C12H10N2O5S/c1-7-2-3-9(14(17)18)4-10(7)19-5-8-6-20-11(13-8)12(15)16/h2-4,6H,5H2,1H3,(H,15,16)