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4-(cyanomethyl)-3,6-bis(2-methylpropyl)-2-nitro-benzenecarbonitrile

4-(cyanomethyl)-3,6-bis(2-methylpropyl)-2-nitro-benzenecarbonitrile

Systemtic Name:4-(cyanomethyl)-3,6-bis(2-methylpropyl)-2-nitro-benzenecarbonitrile
Openeye Name:4-(cyanomethyl)-3,6-diisobutyl-2-nitro-benzonitrile
CAS Name:4-(cyanomethyl)-3,6-bis(2-methylpropyl)-2-nitrobenzonitrile
IUPAC Name:4-(cyanomethyl)-3,6-bis(2-methylpropyl)-2-nitrobenzonitrile
Traditional Name:4-(cyanomethyl)-3,6-diisobutyl-2-nitro-benzonitrile
Formula: C17H21N3O2
MolecularWeight: 299.36754
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H21N3O2/c1-11(2)7-14-9-13(5-6-18)15(8-12(3)4)17(20(21)22)16(14)10-19/h9,11-12H,5,7-8H2,1-4H3


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