2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-5-nitro-benzonitrile CAS Name: 2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]amino]-5-nitro-benzonitrile Formula: C18H20N4O3 MolecularWeight: 340.3764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O3/c1-21(2)18(13-5-4-6-16(10-13)25-3)12-20-17-8-7-15(22(23)24)9-14(17)11-19/h4-10,18,20H,12H2,1-3H3/t18-/m1/s1