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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1)C#N)[N+](=O)[O-])CC#N

Isomeric SMILES

CCCC1=C(C=C(C(=C1)C#N)[N+](=O)[O-])CC#N

InChI

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