6-cyano-6-[4-(cyanomethyl)phenyl]-N-(3-nitrophenyl)-5-oxidanylidene-hexanamide

Systemtic Name: 6-cyano-6-[4-(cyanomethyl)phenyl]-N-(3-nitrophenyl)-5-oxidanylidene-hexanamide Openeye Name: 6-cyano-6-[4-(cyanomethyl)phenyl]-N-(3-nitrophenyl)-5-oxo-hexanamide CAS Name: 6-cyano-6-[4-(cyanomethyl)phenyl]-N-(3-nitrophenyl)-5-oxohexanamide IUPAC Name: 6-cyano-6-[4-(cyanomethyl)phenyl]-N-(3-nitrophenyl)-5-oxohexanamide Traditional Name: 6-cyano-6-[4-(cyanomethyl)phenyl]-5-keto-N-(3-nitrophenyl)hexanamide Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCCC(=O)C(C#N)C2=CC=C(C=C2)CC#N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCCC(=O)C(C#N)C2=CC=C(C=C2)CC#N

InChI

InChI=1S/C21H18N4O4/c22-12-11-15-7-9-16(10-8-15)19(14-23)20(26)5-2-6-21(27)24-17-3-1-4-18(13-17)25(28)29/h1,3-4,7-10,13,19H,2,5-6,11H2,(H,24,27)