2-[[3-chloranyl-4-(2-cyanoethylamino)phenyl]diazenyl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[[3-chloranyl-4-(2-cyanoethylamino)phenyl]diazenyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[3-chloro-4-(2-cyanoethylamino)phenyl]azo-5-nitro-benzonitrile CAS Name: 2-[3-chloro-4-(2-cyanoethylamino)phenyl]azo-5-nitrobenzonitrile IUPAC Name: 2-[[3-chloro-4-(2-cyanoethylamino)phenyl]diazenyl]-5-nitrobenzonitrile Traditional Name: 2-[3-chloro-4-(2-cyanoethylamino)phenyl]azo-5-nitro-benzonitrile Formula: C16H11ClN6O2 MolecularWeight: 354.75054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Cl)NCCC#N

Isomeric SMILES

C1=CC(=C(C=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Cl)NCCC#N

InChI

InChI=1S/C16H11ClN6O2/c17-14-9-12(2-4-16(14)20-7-1-6-18)21-22-15-5-3-13(23(24)25)8-11(15)10-19/h2-5,8-9,20H,1,7H2