N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(2-bromanyl-4,5-dimethoxy-phenyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(2-bromo-4,5-dimethoxyphenyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(2-bromo-4,5-dimethoxy-phenyl)ethyl]-5-nitro-benzothiophene-2-carboxamide Formula: C19H17BrN2O5S MolecularWeight: 465.31768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])Br)OC

InChI

InChI=1S/C19H17BrN2O5S/c1-26-15-8-11(14(20)10-16(15)27-2)5-6-21-19(23)18-9-12-7-13(22(24)25)3-4-17(12)28-18/h3-4,7-10H,5-6H2,1-2H3,(H,21,23)