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

Systemtic Name: 3-(cyanomethyl)-5-(2-methylpropyl)-4-nitro-benzenecarbonitrile Openeye Name: 3-(cyanomethyl)-5-isobutyl-4-nitro-benzonitrile CAS Name: 3-(cyanomethyl)-5-(2-methylpropyl)-4-nitrobenzonitrile IUPAC Name: 3-(cyanomethyl)-5-(2-methylpropyl)-4-nitrobenzonitrile Traditional Name: 3-(cyanomethyl)-5-isobutyl-4-nitro-benzonitrile Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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