(2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-(2-chloranylpyrimidin-4-yl)ethanenitrile

Systemtic Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-(2-chloranylpyrimidin-4-yl)ethanenitrile Openeye Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-(2-chloropyrimidin-4-yl)acetonitrile CAS Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-(2-chloro-4-pyrimidinyl)acetonitrile IUPAC Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-(2-chloropyrimidin-4-yl)acetonitrile Traditional Name: (2E)-2-(3H-1,3-benzoxazol-2-ylidene)-2-(2-chloropyrimidin-4-yl)acetonitrile Formula: C13H7ClN4O MolecularWeight: 270.67388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C#N)C3=NC(=NC=C3)Cl)O2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C(\C#N)/C3=NC(=NC=C3)Cl)/O2

InChI

InChI=1S/C13H7ClN4O/c14-13-16-6-5-9(18-13)8(7-15)12-17-10-3-1-2-4-11(10)19-12/h1-6,17H/b12-8-