2-[[(2R)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[(2R)-2-(dimethylamino)-2-thiophen-2-yl-ethyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]amino]-5-nitro-benzonitrile CAS Name: 2-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[[(2R)-2-(dimethylamino)-2-(2-thienyl)ethyl]amino]-5-nitro-benzonitrile Formula: C15H16N4O2S MolecularWeight: 316.37814

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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=CS2

Isomeric SMILES

CN(C)[C@H](CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N)C2=CC=CS2

InChI

InChI=1S/C15H16N4O2S/c1-18(2)14(15-4-3-7-22-15)10-17-13-6-5-12(19(20)21)8-11(13)9-16/h3-8,14,17H,10H2,1-2H3/t14-/m1/s1