2-[(3-azanyl-4-methoxy-phenyl)methyl-(cyanomethyl)amino]ethanenitrile

Systemtic Name: 2-[(3-azanyl-4-methoxy-phenyl)methyl-(cyanomethyl)amino]ethanenitrile Openeye Name: 2-[(3-amino-4-methoxy-phenyl)methyl-(cyanomethyl)amino]acetonitrile CAS Name: 2-[(3-amino-4-methoxyphenyl)methyl-(cyanomethyl)amino]acetonitrile IUPAC Name: 2-[(3-amino-4-methoxyphenyl)methyl-(cyanomethyl)amino]acetonitrile Traditional Name: 2-[(3-amino-4-methoxy-benzyl)-(cyanomethyl)amino]acetonitrile Formula: C12H14N4O MolecularWeight: 230.26576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC#N)CC#N)N

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC#N)CC#N)N

InChI

InChI=1S/C12H14N4O/c1-17-12-3-2-10(8-11(12)15)9-16(6-4-13)7-5-14/h2-3,8H,6-7,9,15H2,1H3