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

Systemtic Name: 2-butyl-3-(cyanomethyl)-4-nitro-benzenecarbonitrile Openeye Name: 2-butyl-3-(cyanomethyl)-4-nitro-benzonitrile CAS Name: 2-butyl-3-(cyanomethyl)-4-nitrobenzonitrile IUPAC Name: 2-butyl-3-(cyanomethyl)-4-nitrobenzonitrile Traditional Name: 2-butyl-3-(cyanomethyl)-4-nitro-benzonitrile Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC(=C1CC#N)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCC1=C(C=CC(=C1CC#N)[N+](=O)[O-])C#N

InChI

InChI=1S/C13H13N3O2/c1-2-3-4-11-10(9-15)5-6-13(16(17)18)12(11)7-8-14/h5-6H,2-4,7H2,1H3