4-butan-2-yl-3-(cyanomethyl)-5-nitro-benzenecarbonitrile

Systemtic Name: 4-butan-2-yl-3-(cyanomethyl)-5-nitro-benzenecarbonitrile Openeye Name: 3-(cyanomethyl)-5-nitro-4-sec-butyl-benzonitrile CAS Name: 4-butan-2-yl-3-(cyanomethyl)-5-nitrobenzonitrile IUPAC Name: 4-butan-2-yl-3-(cyanomethyl)-5-nitrobenzonitrile Traditional Name: 3-(cyanomethyl)-5-nitro-4-sec-butyl-benzonitrile Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O2/c1-3-9(2)13-11(4-5-14)6-10(8-15)7-12(13)16(17)18/h6-7,9H,3-4H2,1-2H3