2-(hexan-2-ylamino)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(hexan-2-ylamino)-5-nitro-benzenecarbonitrile Openeye Name: 2-(1-methylpentylamino)-5-nitro-benzonitrile CAS Name: 2-(hexan-2-ylamino)-5-nitrobenzonitrile IUPAC Name: 2-(hexan-2-ylamino)-5-nitrobenzonitrile Traditional Name: 2-(1-methylpentylamino)-5-nitro-benzonitrile Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2/c1-3-4-5-10(2)15-13-7-6-12(16(17)18)8-11(13)9-14/h6-8,10,15H,3-5H2,1-2H3