2-(heptan-4-ylamino)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(heptan-4-ylamino)-5-nitro-benzenecarbonitrile Openeye Name: 5-nitro-2-(1-propylbutylamino)benzonitrile CAS Name: 2-(heptan-4-ylamino)-5-nitrobenzonitrile IUPAC Name: 2-(heptan-4-ylamino)-5-nitrobenzonitrile Traditional Name: 5-nitro-2-(1-propylbutylamino)benzonitrile Formula: C14H19N3O2 MolecularWeight: 261.31956

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N

Isomeric SMILES

CCCC(CCC)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N

InChI

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