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

Systemtic Name: 3-(cyanomethyl)-4,6-bis(2-methylpropyl)-2-nitro-benzenecarbonitrile Openeye Name: 3-(cyanomethyl)-4,6-diisobutyl-2-nitro-benzonitrile CAS Name: 3-(cyanomethyl)-4,6-bis(2-methylpropyl)-2-nitrobenzonitrile IUPAC Name: 3-(cyanomethyl)-4,6-bis(2-methylpropyl)-2-nitrobenzonitrile Traditional Name: 3-(cyanomethyl)-4,6-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#N)CC(C)C

Isomeric SMILES

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

InChI

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