4-(4-heptyl-3,5-dinitro-phenyl)benzenecarbonitrile

Systemtic Name: 4-(4-heptyl-3,5-dinitro-phenyl)benzenecarbonitrile Openeye Name: 4-(4-heptyl-3,5-dinitro-phenyl)benzonitrile CAS Name: 4-(4-heptyl-3,5-dinitrophenyl)benzonitrile IUPAC Name: 4-(4-heptyl-3,5-dinitrophenyl)benzonitrile Traditional Name: 4-(4-heptyl-3,5-dinitro-phenyl)benzonitrile Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1[N+](=O)[O-])C2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1[N+](=O)[O-])C2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4/c1-2-3-4-5-6-7-18-19(22(24)25)12-17(13-20(18)23(26)27)16-10-8-15(14-21)9-11-16/h8-13H,2-7H2,1H3