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

Systemtic Name: 3-(cyanomethyl)-5-nitro-4-propan-2-yl-benzenecarbonitrile Openeye Name: 3-(cyanomethyl)-4-isopropyl-5-nitro-benzonitrile CAS Name: 3-(cyanomethyl)-5-nitro-4-propan-2-ylbenzonitrile IUPAC Name: 3-(cyanomethyl)-5-nitro-4-propan-2-ylbenzonitrile Traditional Name: 3-(cyanomethyl)-4-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=C1[N+](=O)[O-])C#N)CC#N

Isomeric SMILES

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

InChI

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