2-(butan-2-ylamino)-5-nitro-benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N

Isomeric SMILES

CCC(C)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N

InChI

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