2-(4-chloranyl-2-methyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-(4-chloro-2-methyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-(4-chloro-2-methyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C17H14ClN3O4S MolecularWeight: 391.82876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN3O4S/c1-9-7-11(18)3-6-14(9)25-10(2)16(22)20-17-19-13-5-4-12(21(23)24)8-15(13)26-17/h3-8,10H,1-2H3,(H,19,20,22)