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

Systemtic Name: N-(4-chloranyl-3-methyl-1,2-thiazol-5-yl)-2-(3-nitro-4-oxidanyl-phenyl)propanamide Openeye Name: N-(4-chloro-3-methyl-isothiazol-5-yl)-2-(4-hydroxy-3-nitro-phenyl)propanamide CAS Name: N-(4-chloro-3-methyl-5-isothiazolyl)-2-(4-hydroxy-3-nitrophenyl)propanamide IUPAC Name: N-(4-chloro-3-methyl-1,2-thiazol-5-yl)-2-(4-hydroxy-3-nitrophenyl)propanamide Traditional Name: N-(4-chloro-3-methyl-isothiazol-5-yl)-2-(4-hydroxy-3-nitro-phenyl)propionamide Formula: C13H12ClN3O4S MolecularWeight: 341.77008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12ClN3O4S/c1-6(8-3-4-10(18)9(5-8)17(20)21)12(19)15-13-11(14)7(2)16-22-13/h3-6,18H,1-2H3,(H,15,19)