N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)pentanamide

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)pentanamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)pentanamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)pentanamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)pentanamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)valeramide Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=NC2=C(C=C(C=C2S1)[N+](=O)[O-])OC

Isomeric SMILES

CCCCC(=O)NC1=NC2=C(C=C(C=C2S1)[N+](=O)[O-])OC

InChI

InChI=1S/C13H15N3O4S/c1-3-4-5-11(17)14-13-15-12-9(20-2)6-8(16(18)19)7-10(12)21-13/h6-7H,3-5H2,1-2H3,(H,14,15,17)