2-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]-5-nitro-benzonitrile CAS Name: 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-5-nitrobenzonitrile IUPAC Name: 2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-5-nitrobenzonitrile Traditional Name: 2-[2-(3,5-dimethylphenoxy)ethyl-methyl-amino]-5-nitro-benzonitrile Formula: C18H19N3O3 MolecularWeight: 325.36176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3/c1-13-8-14(2)10-17(9-13)24-7-6-20(3)18-5-4-16(21(22)23)11-15(18)12-19/h4-5,8-11H,6-7H2,1-3H3