4-(3-methylbutylamino)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(3-methylbutylamino)-3-nitro-benzenecarbonitrile Openeye Name: 4-(isopentylamino)-3-nitro-benzonitrile CAS Name: 4-(3-methylbutylamino)-3-nitrobenzonitrile IUPAC Name: 4-(3-methylbutylamino)-3-nitrobenzonitrile Traditional Name: 4-(isoamylamino)-3-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)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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