4-(3-methylbutan-2-ylamino)-3-nitro-benzenecarbonitrile

Systemtic Name: 4-(3-methylbutan-2-ylamino)-3-nitro-benzenecarbonitrile Openeye Name: 4-(1,2-dimethylpropylamino)-3-nitro-benzonitrile CAS Name: 4-(3-methylbutan-2-ylamino)-3-nitrobenzonitrile IUPAC Name: 4-(3-methylbutan-2-ylamino)-3-nitrobenzonitrile Traditional Name: 4-(1,2-dimethylpropylamino)-3-nitro-benzonitrile Formula: C12H15N3O2 MolecularWeight: 233.2664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O2/c1-8(2)9(3)14-11-5-4-10(7-13)6-12(11)15(16)17/h4-6,8-9,14H,1-3H3