2-(3-methylpentan-2-ylamino)-5-nitro-benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2/c1-4-9(2)10(3)15-13-6-5-12(16(17)18)7-11(13)8-14/h5-7,9-10,15H,4H2,1-3H3