4-(4-heptyl-3-nitro-phenyl)-2-nitro-benzenecarbonitrile

Systemtic Name: 4-(4-heptyl-3-nitro-phenyl)-2-nitro-benzenecarbonitrile Openeye Name: 4-(4-heptyl-3-nitro-phenyl)-2-nitro-benzonitrile CAS Name: 4-(4-heptyl-3-nitrophenyl)-2-nitrobenzonitrile IUPAC Name: 4-(4-heptyl-3-nitrophenyl)-2-nitrobenzonitrile Traditional Name: 4-(4-heptyl-3-nitro-phenyl)-2-nitro-benzonitrile Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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