3,6-di(butan-2-yl)-4-(cyanomethyl)-2-nitro-benzenecarbonitrile

Systemtic Name: 3,6-di(butan-2-yl)-4-(cyanomethyl)-2-nitro-benzenecarbonitrile Openeye Name: 4-(cyanomethyl)-2-nitro-3,6-disec-butyl-benzonitrile CAS Name: 3,6-di(butan-2-yl)-4-(cyanomethyl)-2-nitrobenzonitrile IUPAC Name: 3,6-di(butan-2-yl)-4-(cyanomethyl)-2-nitrobenzonitrile Traditional Name: 4-(cyanomethyl)-2-nitro-3,6-disec-butyl-benzonitrile Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C(=C1C#N)[N+](=O)[O-])C(C)CC)CC#N

Isomeric SMILES

CCC(C)C1=CC(=C(C(=C1C#N)[N+](=O)[O-])C(C)CC)CC#N

InChI

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