4-butyl-3-(cyanomethyl)-5-nitro-benzenecarbonitrile

Systemtic Name: 4-butyl-3-(cyanomethyl)-5-nitro-benzenecarbonitrile Openeye Name: 4-butyl-3-(cyanomethyl)-5-nitro-benzonitrile CAS Name: 4-butyl-3-(cyanomethyl)-5-nitrobenzonitrile IUPAC Name: 4-butyl-3-(cyanomethyl)-5-nitrobenzonitrile Traditional Name: 4-butyl-3-(cyanomethyl)-5-nitro-benzonitrile Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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