2-(2-methylpropylamino)-5-nitro-benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)CNC1=C(C=C(C=C1)[N+](=O)[O-])C#N

InChI

InChI=1S/C11H13N3O2/c1-8(2)7-13-11-4-3-10(14(15)16)5-9(11)6-12/h3-5,8,13H,7H2,1-2H3