2-[2-(2,4-dimethylphenoxy)ethylamino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[2-(2,4-dimethylphenoxy)ethylamino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[2-(2,4-dimethylphenoxy)ethylamino]-5-nitro-benzonitrile CAS Name: 2-[2-(2,4-dimethylphenoxy)ethylamino]-5-nitrobenzonitrile IUPAC Name: 2-[2-(2,4-dimethylphenoxy)ethylamino]-5-nitrobenzonitrile Traditional Name: 2-[2-(2,4-dimethylphenoxy)ethylamino]-5-nitro-benzonitrile Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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