2-(butylamino)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(butylamino)-5-nitro-benzenecarbonitrile Openeye Name: 2-(butylamino)-5-nitro-benzonitrile CAS Name: 2-(butylamino)-5-nitrobenzonitrile IUPAC Name: 2-(butylamino)-5-nitrobenzonitrile Traditional Name: 2-(butylamino)-5-nitro-benzonitrile Formula: C11H13N3O2 MolecularWeight: 219.23982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)[N+](=O)[O-])C#N

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)[N+](=O)[O-])C#N

InChI

InChI=1S/C11H13N3O2/c1-2-3-6-13-11-5-4-10(14(15)16)7-9(11)8-12/h4-5,7,13H,2-3,6H2,1H3