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

Systemtic Name: N-[(2-bromanyl-4,5-diethoxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(2-bromo-4,5-diethoxy-phenyl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(2-bromo-4,5-diethoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(2-bromo-4,5-diethoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(2-bromo-4,5-diethoxy-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C20H18BrN3O5S MolecularWeight: 492.34302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])Br)OCC

InChI

InChI=1S/C20H18BrN3O5S/c1-3-28-16-8-13(15(21)10-17(16)29-4-2)11-22-23-20(25)19-9-12-7-14(24(26)27)5-6-18(12)30-19/h5-11H,3-4H2,1-2H3,(H,23,25)