N-[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-3-chloro-7-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-3-chloro-7-nitro-benzothiophene-2-carboxamide Formula: C23H13BrClN3O5S MolecularWeight: 558.78842

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl)Br

InChI

InChI=1S/C23H13BrClN3O5S/c1-32-17-7-5-11(9-14(17)24)23-27-15-10-12(6-8-18(15)33-23)26-22(29)21-19(25)13-3-2-4-16(28(30)31)20(13)34-21/h2-10H,1H3,(H,26,29)