2-(2,6-dimethylheptan-4-ylamino)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(2,6-dimethylheptan-4-ylamino)-5-nitro-benzenecarbonitrile Openeye Name: 2-[(1-isobutyl-3-methyl-butyl)amino]-5-nitro-benzonitrile CAS Name: 2-(2,6-dimethylheptan-4-ylamino)-5-nitrobenzonitrile IUPAC Name: 2-(2,6-dimethylheptan-4-ylamino)-5-nitrobenzonitrile Traditional Name: 2-[(1-isobutyl-3-methyl-butyl)amino]-5-nitro-benzonitrile Formula: C16H23N3O2 MolecularWeight: 289.37272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2/c1-11(2)7-14(8-12(3)4)18-16-6-5-15(19(20)21)9-13(16)10-17/h5-6,9,11-12,14,18H,7-8H2,1-4H3