5-butan-2-yl-4-(cyanomethyl)-2-nitro-benzenecarbonitrile

Systemtic Name: 5-butan-2-yl-4-(cyanomethyl)-2-nitro-benzenecarbonitrile Openeye Name: 4-(cyanomethyl)-2-nitro-5-sec-butyl-benzonitrile CAS Name: 5-butan-2-yl-4-(cyanomethyl)-2-nitrobenzonitrile IUPAC Name: 5-butan-2-yl-4-(cyanomethyl)-2-nitrobenzonitrile Traditional Name: 4-(cyanomethyl)-2-nitro-5-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(=C1)C#N)[N+](=O)[O-])CC#N

Isomeric SMILES

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

InChI

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