2-butan-2-yl-5-(cyanomethyl)-3-nitro-benzenecarbonitrile

Systemtic Name: 2-butan-2-yl-5-(cyanomethyl)-3-nitro-benzenecarbonitrile Openeye Name: 5-(cyanomethyl)-3-nitro-2-sec-butyl-benzonitrile CAS Name: 2-butan-2-yl-5-(cyanomethyl)-3-nitrobenzonitrile IUPAC Name: 2-butan-2-yl-5-(cyanomethyl)-3-nitrobenzonitrile Traditional Name: 5-(cyanomethyl)-3-nitro-2-sec-butyl-benzonitrile Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C(C=C(C=C1C#N)CC#N)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=C(C=C(C=C1C#N)CC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O2/c1-3-9(2)13-11(8-15)6-10(4-5-14)7-12(13)16(17)18/h6-7,9H,3-4H2,1-2H3