4-(cyanomethyl)-2-nitro-6-propan-2-yl-benzenecarbonitrile

Systemtic Name: 4-(cyanomethyl)-2-nitro-6-propan-2-yl-benzenecarbonitrile Openeye Name: 4-(cyanomethyl)-2-isopropyl-6-nitro-benzonitrile CAS Name: 4-(cyanomethyl)-2-nitro-6-propan-2-ylbenzonitrile IUPAC Name: 4-(cyanomethyl)-2-nitro-6-propan-2-ylbenzonitrile Traditional Name: 4-(cyanomethyl)-2-isopropyl-6-nitro-benzonitrile Formula: C12H11N3O2 MolecularWeight: 229.23464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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