2-(3-methylbutylamino)-5-nitro-benzenecarbonitrile

Systemtic Name: 2-(3-methylbutylamino)-5-nitro-benzenecarbonitrile Openeye Name: 2-(isopentylamino)-5-nitro-benzonitrile CAS Name: 2-(3-methylbutylamino)-5-nitrobenzonitrile IUPAC Name: 2-(3-methylbutylamino)-5-nitrobenzonitrile Traditional Name: 2-(isoamylamino)-5-nitro-benzonitrile Formula: C12H15N3O2 MolecularWeight: 233.2664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=C(C=C(C=C1)[N+](=O)[O-])C#N

Isomeric SMILES

CC(C)CCNC1=C(C=C(C=C1)[N+](=O)[O-])C#N

InChI

InChI=1S/C12H15N3O2/c1-9(2)5-6-14-12-4-3-11(15(16)17)7-10(12)8-13/h3-4,7,9,14H,5-6H2,1-2H3