5-(cyanomethyl)-3-nitro-2,4-di(propan-2-yl)benzenecarbonitrile

Systemtic Name: 5-(cyanomethyl)-3-nitro-2,4-di(propan-2-yl)benzenecarbonitrile Openeye Name: 5-(cyanomethyl)-2,4-diisopropyl-3-nitro-benzonitrile CAS Name: 5-(cyanomethyl)-3-nitro-2,4-di(propan-2-yl)benzonitrile IUPAC Name: 5-(cyanomethyl)-3-nitro-2,4-di(propan-2-yl)benzonitrile Traditional Name: 5-(cyanomethyl)-2,4-diisopropyl-3-nitro-benzonitrile Formula: C15H17N3O2 MolecularWeight: 271.31438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O2/c1-9(2)13-11(5-6-16)7-12(8-17)14(10(3)4)15(13)18(19)20/h7,9-10H,5H2,1-4H3