2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-5-nitro-benzenecarbonitrile Openeye Name: 2-[(4-allyloxyphenyl)methyl-methyl-amino]-5-nitro-benzonitrile CAS Name: 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-5-nitrobenzonitrile IUPAC Name: 2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]-5-nitrobenzonitrile Traditional Name: 2-[(4-allyloxybenzyl)-methyl-amino]-5-nitro-benzonitrile Formula: C18H17N3O3 MolecularWeight: 323.34588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O3/c1-3-10-24-17-7-4-14(5-8-17)13-20(2)18-9-6-16(21(22)23)11-15(18)12-19/h3-9,11H,1,10,13H2,2H3