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

Systemtic Name: 4-[(3-methyl-2-nitro-phenoxy)methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[(3-methyl-2-nitro-phenoxy)methyl]thiazole-2-carboxylic acid CAS Name: 4-[(3-methyl-2-nitrophenoxy)methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[(3-methyl-2-nitrophenoxy)methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[(3-methyl-2-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(=CC=C1)OCC2=CSC(=N2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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