4-[methyl(octyl)amino]-2-nitro-benzenecarbonitrile

Systemtic Name: 4-[methyl(octyl)amino]-2-nitro-benzenecarbonitrile Openeye Name: 4-[methyl(octyl)amino]-2-nitro-benzonitrile CAS Name: 4-[methyl(octyl)amino]-2-nitrobenzonitrile IUPAC Name: 4-[methyl(octyl)amino]-2-nitrobenzonitrile Traditional Name: 4-[methyl(octyl)amino]-2-nitro-benzonitrile Formula: C16H23N3O2 MolecularWeight: 289.37272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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