2-[[(2S)-2-(dimethylamino)-2-phenyl-ethyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[(2S)-2-(dimethylamino)-2-phenyl-ethyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[(2S)-2-(dimethylamino)-2-phenyl-ethyl]amino]-5-nitro-benzonitrile CAS Name: 2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[(2S)-2-(dimethylamino)-2-phenyl-ethyl]amino]-5-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)[N+](=O)[O-])C#N)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O2/c1-20(2)17(13-6-4-3-5-7-13)12-19-16-9-8-15(21(22)23)10-14(16)11-18/h3-10,17,19H,12H2,1-2H3/t17-/m1/s1