4-(cyanomethyl)-5-nitro-2-propyl-benzenecarbonitrile

Systemtic Name: 4-(cyanomethyl)-5-nitro-2-propyl-benzenecarbonitrile Openeye Name: 4-(cyanomethyl)-5-nitro-2-propyl-benzonitrile CAS Name: 4-(cyanomethyl)-5-nitro-2-propylbenzonitrile IUPAC Name: 4-(cyanomethyl)-5-nitro-2-propylbenzonitrile Traditional Name: 4-(cyanomethyl)-5-nitro-2-propyl-benzonitrile Formula: C12H11N3O2 MolecularWeight: 229.23464

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1C#N)[N+](=O)[O-])CC#N

Isomeric SMILES

CCCC1=CC(=C(C=C1C#N)[N+](=O)[O-])CC#N

InChI

InChI=1S/C12H11N3O2/c1-2-3-9-6-10(4-5-13)12(15(16)17)7-11(9)8-14/h6-7H,2-4H2,1H3