4-[[2-(dimethylamino)-2-phenyl-ethyl]amino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[[2-(dimethylamino)-2-phenyl-ethyl]amino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[[2-(dimethylamino)-2-phenyl-ethyl]amino]-3-nitro-benzonitrile CAS Name: 4-[[2-(dimethylamino)-2-phenylethyl]amino]-3-nitrobenzonitrile IUPAC Name: 4-[[2-(dimethylamino)-2-phenylethyl]amino]-3-nitrobenzonitrile Traditional Name: 4-[[2-(dimethylamino)-2-phenyl-ethyl]amino]-3-nitro-benzonitrile Formula: C17H18N4O2 MolecularWeight: 310.35042

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC1=C(C=C(C=C1)C#N)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CN(C)C(CNC1=C(C=C(C=C1)C#N)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C17H18N4O2/c1-20(2)17(14-6-4-3-5-7-14)12-19-15-9-8-13(11-18)10-16(15)21(22)23/h3-10,17,19H,12H2,1-2H3