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

Systemtic Name: 3-nitro-4-(pentan-2-ylamino)benzenecarbonitrile Openeye Name: 4-(1-methylbutylamino)-3-nitro-benzonitrile CAS Name: 3-nitro-4-(pentan-2-ylamino)benzonitrile IUPAC Name: 3-nitro-4-(pentan-2-ylamino)benzonitrile Traditional Name: 4-(1-methylbutylamino)-3-nitro-benzonitrile Formula: C12H15N3O2 MolecularWeight: 233.2664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O2/c1-3-4-9(2)14-11-6-5-10(8-13)7-12(11)15(16)17/h5-7,9,14H,3-4H2,1-2H3