(E)-3-azanyl-4,4,4-tris(chloranyl)-2-(1H-pyrrol-2-ylcarbonyl)but-2-enenitrile

Systemtic Name: (E)-3-azanyl-4,4,4-tris(chloranyl)-2-(1H-pyrrol-2-ylcarbonyl)but-2-enenitrile Openeye Name: (E)-3-amino-4,4,4-trichloro-2-(1H-pyrrole-2-carbonyl)but-2-enenitrile CAS Name: (E)-3-amino-4,4,4-trichloro-2-[oxo(1H-pyrrol-2-yl)methyl]-2-butenenitrile IUPAC Name: (E)-3-amino-4,4,4-trichloro-2-(1H-pyrrole-2-carbonyl)but-2-enenitrile Traditional Name: (E)-3-amino-4,4,4-trichloro-2-(1H-pyrrole-2-carbonyl)but-2-enenitrile Formula: C9H6Cl3N3O MolecularWeight: 278.52244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CNC(=C1)C(=O)C(=C(C(Cl)(Cl)Cl)N)C#N

Isomeric SMILES

C1=CNC(=C1)C(=O)/C(=C(\C(Cl)(Cl)Cl)/N)/C#N

InChI

InChI=1S/C9H6Cl3N3O/c10-9(11,12)8(14)5(4-13)7(16)6-2-1-3-15-6/h1-3,15H,14H2/b8-5+