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

Systemtic Name: 5-nitro-2-(nonan-2-ylamino)benzenecarbonitrile Openeye Name: 2-(1-methyloctylamino)-5-nitro-benzonitrile CAS Name: 5-nitro-2-(nonan-2-ylamino)benzonitrile IUPAC Name: 5-nitro-2-(nonan-2-ylamino)benzonitrile Traditional Name: 2-(1-methyloctylamino)-5-nitro-benzonitrile Formula: C16H23N3O2 MolecularWeight: 289.37272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2/c1-3-4-5-6-7-8-13(2)18-16-10-9-15(19(20)21)11-14(16)12-17/h9-11,13,18H,3-8H2,1-2H3