2-[4-(4-methyl-3-nitro-phenyl)-1,3-thiazol-2-yl]ethanoate

Systemtic Name: 2-[4-(4-methyl-3-nitro-phenyl)-1,3-thiazol-2-yl]ethanoate Openeye Name: 2-[4-(4-methyl-3-nitro-phenyl)thiazol-2-yl]acetate CAS Name: 2-[4-(4-methyl-3-nitrophenyl)-2-thiazolyl]acetate IUPAC Name: 2-[4-(4-methyl-3-nitrophenyl)-1,3-thiazol-2-yl]acetate Traditional Name: 2-[4-(4-methyl-3-nitro-phenyl)thiazol-2-yl]acetate Formula: C12H9N2O4S- MolecularWeight: 277.27586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)CC(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)CC(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O4S/c1-7-2-3-8(4-10(7)14(17)18)9-6-19-11(13-9)5-12(15)16/h2-4,6H,5H2,1H3,(H,15,16)/p-1