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

Systemtic Name: 2-(4-methylpentan-2-ylamino)-5-nitro-benzenecarbonitrile Openeye Name: 2-(1,3-dimethylbutylamino)-5-nitro-benzonitrile CAS Name: 2-(4-methylpentan-2-ylamino)-5-nitrobenzonitrile IUPAC Name: 2-(4-methylpentan-2-ylamino)-5-nitrobenzonitrile Traditional Name: 2-(1,3-dimethylbutylamino)-5-nitro-benzonitrile Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2/c1-9(2)6-10(3)15-13-5-4-12(16(17)18)7-11(13)8-14/h4-5,7,9-10,15H,6H2,1-3H3