4-(cyanomethyl)-2-(2-methylpropyl)-5-nitro-benzenecarbonitrile

Systemtic Name: 4-(cyanomethyl)-2-(2-methylpropyl)-5-nitro-benzenecarbonitrile Openeye Name: 4-(cyanomethyl)-2-isobutyl-5-nitro-benzonitrile CAS Name: 4-(cyanomethyl)-2-(2-methylpropyl)-5-nitrobenzonitrile IUPAC Name: 4-(cyanomethyl)-2-(2-methylpropyl)-5-nitrobenzonitrile Traditional Name: 4-(cyanomethyl)-2-isobutyl-5-nitro-benzonitrile Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=C(C=C1C#N)[N+](=O)[O-])CC#N

Isomeric SMILES

CC(C)CC1=CC(=C(C=C1C#N)[N+](=O)[O-])CC#N

InChI

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