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

Systemtic Name: N-[(3-chloranyl-4,5-diethoxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3-chloro-4,5-diethoxy-phenyl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(3-chloro-4,5-diethoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3-chloro-4,5-diethoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3-chloro-4,5-diethoxy-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C20H18ClN3O5S MolecularWeight: 447.89202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O5S/c1-3-28-16-8-12(7-15(21)19(16)29-4-2)11-22-23-20(25)18-10-13-9-14(24(26)27)5-6-17(13)30-18/h5-11H,3-4H2,1-2H3,(H,23,25)