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

Systemtic Name: N-[(3-bromanyl-4-methoxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3-bromo-4-methoxy-phenyl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(3-bromo-4-methoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3-bromo-4-methoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3-bromo-4-methoxy-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C17H12BrN3O4S MolecularWeight: 434.26388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrN3O4S/c1-25-14-4-2-10(6-13(14)18)9-19-20-17(22)16-8-11-7-12(21(23)24)3-5-15(11)26-16/h2-9H,1H3,(H,20,22)