N-(6-nitro-1,3-benzothiazol-2-yl)pentanamide

Systemtic Name: N-(6-nitro-1,3-benzothiazol-2-yl)pentanamide Openeye Name: N-(6-nitro-1,3-benzothiazol-2-yl)pentanamide CAS Name: N-(6-nitro-1,3-benzothiazol-2-yl)pentanamide IUPAC Name: N-(6-nitro-1,3-benzothiazol-2-yl)pentanamide Traditional Name: N-(6-nitro-1,3-benzothiazol-2-yl)valeramide Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3S/c1-2-3-4-11(16)14-12-13-9-6-5-8(15(17)18)7-10(9)19-12/h5-7H,2-4H2,1H3,(H,13,14,16)