2-[2-cyanoethyl(phenyl)amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[2-cyanoethyl(phenyl)amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[N-(2-cyanoethyl)anilino]-5-nitro-benzonitrile CAS Name: 2-[N-(2-cyanoethyl)anilino]-5-nitrobenzonitrile IUPAC Name: 2-[N-(2-cyanoethyl)anilino]-5-nitrobenzonitrile Traditional Name: 2-[N-(2-cyanoethyl)anilino]-5-nitro-benzonitrile Formula: C16H12N4O2 MolecularWeight: 292.29208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N4O2/c17-9-4-10-19(14-5-2-1-3-6-14)16-8-7-15(20(21)22)11-13(16)12-18/h1-3,5-8,11H,4,10H2