N-[4-(cyanomethyl)phenyl]-2-(dimethylamino)-5-nitro-benzamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-(dimethylamino)-5-nitro-benzamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-(dimethylamino)-5-nitro-benzamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-(dimethylamino)-5-nitrobenzamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-(dimethylamino)-5-nitro-benzamide Formula: C17H16N4O3 MolecularWeight: 324.33394

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C17H16N4O3/c1-20(2)16-8-7-14(21(23)24)11-15(16)17(22)19-13-5-3-12(4-6-13)9-10-18/h3-8,11H,9H2,1-2H3,(H,19,22)