N-[[4-(cyanomethoxy)-3-methoxy-phenyl]methylideneamino]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[[4-(cyanomethoxy)-3-methoxy-phenyl]methylideneamino]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[[4-(cyanomethoxy)-3-methoxy-phenyl]methyleneamino]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[[4-(cyanomethoxy)-3-methoxyphenyl]methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[[4-(cyanomethoxy)-3-methoxy-benzylidene]amino]-2-[(4-nitrophenyl)thio]acetamide Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=NNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])OCC#N

Isomeric SMILES

COC1=C(C=CC(=C1)C=NNC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-])OCC#N

InChI

InChI=1S/C18H16N4O5S/c1-26-17-10-13(2-7-16(17)27-9-8-19)11-20-21-18(23)12-28-15-5-3-14(4-6-15)22(24)25/h2-7,10-11H,9,12H2,1H3,(H,21,23)