5-nitro-2-(octan-2-ylamino)benzenecarbonitrile

Systemtic Name: 5-nitro-2-(octan-2-ylamino)benzenecarbonitrile Openeye Name: 2-(1-methylheptylamino)-5-nitro-benzonitrile CAS Name: 5-nitro-2-(octan-2-ylamino)benzonitrile IUPAC Name: 5-nitro-2-(octan-2-ylamino)benzonitrile Traditional Name: 2-(1-methylheptylamino)-5-nitro-benzonitrile Formula: C15H21N3O2 MolecularWeight: 275.34614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2/c1-3-4-5-6-7-12(2)17-15-9-8-14(18(19)20)10-13(15)11-16/h8-10,12,17H,3-7H2,1-2H3