2-butan-2-yl-3-(cyanomethyl)-6-nitro-benzenecarbonitrile

Systemtic Name: 2-butan-2-yl-3-(cyanomethyl)-6-nitro-benzenecarbonitrile Openeye Name: 3-(cyanomethyl)-6-nitro-2-sec-butyl-benzonitrile CAS Name: 2-butan-2-yl-3-(cyanomethyl)-6-nitrobenzonitrile IUPAC Name: 2-butan-2-yl-3-(cyanomethyl)-6-nitrobenzonitrile Traditional Name: 3-(cyanomethyl)-6-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=CC(=C1C#N)[N+](=O)[O-])CC#N

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O2/c1-3-9(2)13-10(6-7-14)4-5-12(16(17)18)11(13)8-15/h4-5,9H,3,6H2,1-2H3