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

Systemtic Name: 5-butyl-4-(cyanomethyl)-2-nitro-benzenecarbonitrile Openeye Name: 5-butyl-4-(cyanomethyl)-2-nitro-benzonitrile CAS Name: 5-butyl-4-(cyanomethyl)-2-nitrobenzonitrile IUPAC Name: 5-butyl-4-(cyanomethyl)-2-nitrobenzonitrile Traditional Name: 5-butyl-4-(cyanomethyl)-2-nitro-benzonitrile Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C(=C1)C#N)[N+](=O)[O-])CC#N

Isomeric SMILES

CCCCC1=C(C=C(C(=C1)C#N)[N+](=O)[O-])CC#N

InChI

InChI=1S/C13H13N3O2/c1-2-3-4-10-7-12(9-15)13(16(17)18)8-11(10)5-6-14/h7-8H,2-5H2,1H3