3-[(2,3,4-trimethoxyphenyl)methylamino]propanenitrile

Systemtic Name: 3-[(2,3,4-trimethoxyphenyl)methylamino]propanenitrile Openeye Name: 3-[(2,3,4-trimethoxyphenyl)methylamino]propanenitrile CAS Name: 3-[(2,3,4-trimethoxyphenyl)methylamino]propanenitrile IUPAC Name: 3-[(2,3,4-trimethoxyphenyl)methylamino]propanenitrile Traditional Name: 3-[(2,3,4-trimethoxybenzyl)amino]propionitrile Formula: C13H18N2O3 MolecularWeight: 250.29362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CNCCC#N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CNCCC#N)OC)OC

InChI

InChI=1S/C13H18N2O3/c1-16-11-6-5-10(9-15-8-4-7-14)12(17-2)13(11)18-3/h5-6,15H,4,8-9H2,1-3H3