N-[(3-bromanyl-4,5-dimethoxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(3-bromanyl-4,5-dimethoxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3-bromo-4,5-dimethoxy-phenyl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3-bromo-4,5-dimethoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3-bromo-4,5-dimethoxy-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C18H14BrN3O5S MolecularWeight: 464.28986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14BrN3O5S/c1-26-14-6-10(5-13(19)17(14)27-2)9-20-21-18(23)16-8-11-7-12(22(24)25)3-4-15(11)28-16/h3-9H,1-2H3,(H,21,23)