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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=C(C(=C1)C#N)[N+](=O)[O-])CC#N

Isomeric SMILES

CC(C)CC1=C(C=C(C(=C1)C#N)[N+](=O)[O-])CC#N

InChI

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