(5-nitro-1,3-thiazol-2-yl)-(2,3,5-trimethyl-4-oxidanyl-phenyl)methanone

Systemtic Name: (5-nitro-1,3-thiazol-2-yl)-(2,3,5-trimethyl-4-oxidanyl-phenyl)methanone Openeye Name: (4-hydroxy-2,3,5-trimethyl-phenyl)-(5-nitrothiazol-2-yl)methanone CAS Name: (4-hydroxy-2,3,5-trimethylphenyl)-(5-nitro-2-thiazolyl)methanone IUPAC Name: (4-hydroxy-2,3,5-trimethylphenyl)-(5-nitro-1,3-thiazol-2-yl)methanone Traditional Name: (4-hydroxy-2,3,5-trimethyl-phenyl)-(5-nitrothiazol-2-yl)methanone Formula: C13H12N2O4S MolecularWeight: 292.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1)C(=O)C2=NC=C(S2)[N+](=O)[O-])C)C)O

Isomeric SMILES

CC1=C(C(=C(C(=C1)C(=O)C2=NC=C(S2)[N+](=O)[O-])C)C)O

InChI

InChI=1S/C13H12N2O4S/c1-6-4-9(7(2)8(3)11(6)16)12(17)13-14-5-10(20-13)15(18)19/h4-5,16H,1-3H3