2-(heptylamino)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(heptylamino)-5-nitro-benzenecarbonitrile Openeye Name: 2-(heptylamino)-5-nitro-benzonitrile CAS Name: 2-(heptylamino)-5-nitrobenzonitrile IUPAC Name: 2-(heptylamino)-5-nitrobenzonitrile Traditional Name: 2-(heptylamino)-5-nitro-benzonitrile Formula: C14H19N3O2 MolecularWeight: 261.31956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])C#N

InChI

InChI=1S/C14H19N3O2/c1-2-3-4-5-6-9-16-14-8-7-13(17(18)19)10-12(14)11-15/h7-8,10,16H,2-6,9H2,1H3