3-(2-bromanyl-4,5-dimethoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 3-(2-bromanyl-4,5-dimethoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-(2-bromo-4,5-dimethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(2-bromo-4,5-dimethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-(2-bromo-4,5-dimethoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)propionamide Formula: C18H16BrN3O5S MolecularWeight: 466.30574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Br)OC

InChI

InChI=1S/C18H16BrN3O5S/c1-26-14-7-10(12(19)9-15(14)27-2)3-6-17(23)21-18-20-13-5-4-11(22(24)25)8-16(13)28-18/h4-5,7-9H,3,6H2,1-2H3,(H,20,21,23)