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

Systemtic Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: N-(4-methoxy-6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C11H11N3O4S MolecularWeight: 281.28774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N3O4S/c1-3-9(15)12-11-13-10-7(18-2)4-6(14(16)17)5-8(10)19-11/h4-5H,3H2,1-2H3,(H,12,13,15)