4-chloranyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-chloranyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-chloro-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C11H10ClN3O3S MolecularWeight: 299.7334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)CCCCl

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)CCCCl

InChI

InChI=1S/C11H10ClN3O3S/c12-5-1-2-10(16)14-11-13-8-4-3-7(15(17)18)6-9(8)19-11/h3-4,6H,1-2,5H2,(H,13,14,16)