N-(4-chloranyl-3-methyl-1,2-thiazol-5-yl)-2-(3-nitro-4-oxidanyl-phenyl)ethanamide

Systemtic Name: N-(4-chloranyl-3-methyl-1,2-thiazol-5-yl)-2-(3-nitro-4-oxidanyl-phenyl)ethanamide Openeye Name: N-(4-chloro-3-methyl-isothiazol-5-yl)-2-(4-hydroxy-3-nitro-phenyl)acetamide CAS Name: N-(4-chloro-3-methyl-5-isothiazolyl)-2-(4-hydroxy-3-nitrophenyl)acetamide IUPAC Name: N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-(4-hydroxy-3-nitrophenyl)acetamide Traditional Name: N-(4-chloro-3-methyl-isothiazol-5-yl)-2-(4-hydroxy-3-nitro-phenyl)acetamide Formula: C12H10ClN3O4S MolecularWeight: 327.7435

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NSC(=C1Cl)NC(=O)CC2=CC(=C(C=C2)O)[N+](=O)[O-]

Isomeric SMILES

CC1=NSC(=C1Cl)NC(=O)CC2=CC(=C(C=C2)O)[N+](=O)[O-]

InChI

InChI=1S/C12H10ClN3O4S/c1-6-11(13)12(21-15-6)14-10(18)5-7-2-3-9(17)8(4-7)16(19)20/h2-4,17H,5H2,1H3,(H,14,18)