N-[(E)-[3-bromanyl-4-(cyanomethoxy)-5-methoxy-phenyl]methylideneamino]-2-cyano-ethanamide

Systemtic Name: N-[(E)-[3-bromanyl-4-(cyanomethoxy)-5-methoxy-phenyl]methylideneamino]-2-cyano-ethanamide Openeye Name: N-[(E)-[3-bromo-4-(cyanomethoxy)-5-methoxy-phenyl]methyleneamino]-2-cyano-acetamide CAS Name: N-[(E)-[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methylideneamino]-2-cyanoacetamide IUPAC Name: N-[(E)-[3-bromo-4-(cyanomethoxy)-5-methoxyphenyl]methylideneamino]-2-cyanoacetamide Traditional Name: N-[(E)-[3-bromo-4-(cyanomethoxy)-5-methoxy-benzylidene]amino]-2-cyano-acetamide Formula: C13H11BrN4O3 MolecularWeight: 351.15544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC(=O)CC#N)Br)OCC#N

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N/NC(=O)CC#N)Br)OCC#N

InChI

InChI=1S/C13H11BrN4O3/c1-20-11-7-9(8-17-18-12(19)2-3-15)6-10(14)13(11)21-5-4-16/h6-8H,2,5H2,1H3,(H,18,19)/b17-8+