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

Systemtic Name: 2-(2-methylpentan-3-ylamino)-5-nitro-benzenecarbonitrile Openeye Name: 2-[(1-ethyl-2-methyl-propyl)amino]-5-nitro-benzonitrile CAS Name: 2-(2-methylpentan-3-ylamino)-5-nitrobenzonitrile IUPAC Name: 2-(2-methylpentan-3-ylamino)-5-nitrobenzonitrile Traditional Name: 2-[(1-ethyl-2-methyl-propyl)amino]-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/c1-4-12(9(2)3)15-13-6-5-11(16(17)18)7-10(13)8-14/h5-7,9,12,15H,4H2,1-3H3