3-(cyanomethyl)-5-nitro-2-propan-2-yl-benzenecarbonitrile

Systemtic Name: 3-(cyanomethyl)-5-nitro-2-propan-2-yl-benzenecarbonitrile Openeye Name: 3-(cyanomethyl)-2-isopropyl-5-nitro-benzonitrile CAS Name: 3-(cyanomethyl)-5-nitro-2-propan-2-ylbenzonitrile IUPAC Name: 3-(cyanomethyl)-5-nitro-2-propan-2-ylbenzonitrile Traditional Name: 3-(cyanomethyl)-2-isopropyl-5-nitro-benzonitrile Formula: C12H11N3O2 MolecularWeight: 229.23464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O2/c1-8(2)12-9(3-4-13)5-11(15(16)17)6-10(12)7-14/h5-6,8H,3H2,1-2H3