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

Systemtic Name: 5-(cyanomethyl)-2,4-bis(2-methylpropyl)-3-nitro-benzenecarbonitrile Openeye Name: 5-(cyanomethyl)-2,4-diisobutyl-3-nitro-benzonitrile CAS Name: 5-(cyanomethyl)-2,4-bis(2-methylpropyl)-3-nitrobenzonitrile IUPAC Name: 5-(cyanomethyl)-2,4-bis(2-methylpropyl)-3-nitrobenzonitrile Traditional Name: 5-(cyanomethyl)-2,4-diisobutyl-3-nitro-benzonitrile Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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