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

Systemtic Name: 2-[[(2S)-2-(diethylamino)-2-phenyl-ethyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[(2S)-2-(diethylamino)-2-phenyl-ethyl]amino]-5-nitro-benzonitrile CAS Name: 2-[[(2S)-2-(diethylamino)-2-phenylethyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[(2S)-2-(diethylamino)-2-phenylethyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[(2S)-2-(diethylamino)-2-phenyl-ethyl]amino]-5-nitro-benzonitrile Formula: C19H22N4O2 MolecularWeight: 338.40358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O2/c1-3-22(4-2)19(15-8-6-5-7-9-15)14-21-18-11-10-17(23(24)25)12-16(18)13-20/h5-12,19,21H,3-4,14H2,1-2H3/t19-/m1/s1