3-[azanyl-(5-ethyl-1,3-benzoxazol-2-yl)amino]propanenitrile

Systemtic Name: 3-[azanyl-(5-ethyl-1,3-benzoxazol-2-yl)amino]propanenitrile Openeye Name: 3-[amino-(5-ethyl-1,3-benzoxazol-2-yl)amino]propanenitrile CAS Name: 3-[amino-(5-ethyl-1,3-benzoxazol-2-yl)amino]propanenitrile IUPAC Name: 3-[amino-(5-ethyl-1,3-benzoxazol-2-yl)amino]propanenitrile Traditional Name: 3-[amino-(5-ethyl-1,3-benzoxazol-2-yl)amino]propionitrile Formula: C12H14N4O MolecularWeight: 230.26576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)N(CCC#N)N

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)N(CCC#N)N

InChI

InChI=1S/C12H14N4O/c1-2-9-4-5-11-10(8-9)15-12(17-11)16(14)7-3-6-13/h4-5,8H,2-3,7,14H2,1H3