4-[2-(2,4-dimethylphenoxy)ethylamino]-3-nitro-benzenecarbonitrile

Systemtic Name: 4-[2-(2,4-dimethylphenoxy)ethylamino]-3-nitro-benzenecarbonitrile Openeye Name: 4-[2-(2,4-dimethylphenoxy)ethylamino]-3-nitro-benzonitrile CAS Name: 4-[2-(2,4-dimethylphenoxy)ethylamino]-3-nitrobenzonitrile IUPAC Name: 4-[2-(2,4-dimethylphenoxy)ethylamino]-3-nitrobenzonitrile Traditional Name: 4-[2-(2,4-dimethylphenoxy)ethylamino]-3-nitro-benzonitrile Formula: C17H17N3O3 MolecularWeight: 311.33518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCNC2=C(C=C(C=C2)C#N)[N+](=O)[O-])C

InChI

InChI=1S/C17H17N3O3/c1-12-3-6-17(13(2)9-12)23-8-7-19-15-5-4-14(11-18)10-16(15)20(21)22/h3-6,9-10,19H,7-8H2,1-2H3