(2Z)-2-[(4-bromanyl-1H-pyrrol-2-yl)methylidene]-3-(2-methylphenyl)but-3-enenitrile

Systemtic Name: (2Z)-2-[(4-bromanyl-1H-pyrrol-2-yl)methylidene]-3-(2-methylphenyl)but-3-enenitrile Openeye Name: (2Z)-2-[(4-bromo-1H-pyrrol-2-yl)methylene]-3-(o-tolyl)but-3-enenitrile CAS Name: (2Z)-2-[(4-bromo-1H-pyrrol-2-yl)methylidene]-3-(2-methylphenyl)-3-butenenitrile IUPAC Name: (2Z)-2-[(4-bromo-1H-pyrrol-2-yl)methylidene]-3-(2-methylphenyl)but-3-enenitrile Traditional Name: (2Z)-2-[(4-bromo-1H-pyrrol-2-yl)methylene]-3-(o-tolyl)but-3-enenitrile Formula: C16H13BrN2 MolecularWeight: 313.19182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=C)C(=CC2=CC(=CN2)Br)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=C)/C(=C/C2=CC(=CN2)Br)/C#N

InChI

InChI=1S/C16H13BrN2/c1-11-5-3-4-6-16(11)12(2)13(9-18)7-15-8-14(17)10-19-15/h3-8,10,19H,2H2,1H3/b13-7+