2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-5-nitro-benzonitrile CAS Name: 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[methyl-[2-(4-methylphenoxy)ethyl]amino]-5-nitro-benzonitrile Formula: C17H17N3O3 MolecularWeight: 311.33518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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