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

Systemtic Name: 4-(2-methoxyphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(2-methoxyphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(2-methoxyphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(2-methoxyphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(2-methoxyphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C18H17N3O5S MolecularWeight: 387.40968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1OCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5S/c1-25-14-5-2-3-6-15(14)26-10-4-7-17(22)20-18-19-13-9-8-12(21(23)24)11-16(13)27-18/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,19,20,22)