2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O4S/c1-9-6-13(7-10(2)16(9)19)26-11(3)17(23)21-18-20-14-5-4-12(22(24)25)8-15(14)27-18/h4-8,11H,1-3H3,(H,20,21,23)