3-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylamino]propanenitrile

Systemtic Name: 3-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylamino]propanenitrile Openeye Name: 3-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methylamino]propanenitrile CAS Name: 3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]propanenitrile IUPAC Name: 3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylamino]propanenitrile Traditional Name: 3-[(3-bromo-4-ethoxy-5-methoxy-benzyl)amino]propionitrile Formula: C13H17BrN2O2 MolecularWeight: 313.19028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)CNCCC#N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)CNCCC#N)OC

InChI

InChI=1S/C13H17BrN2O2/c1-3-18-13-11(14)7-10(8-12(13)17-2)9-16-6-4-5-15/h7-8,16H,3-4,6,9H2,1-2H3