3-[[(5E)-5-[(2E)-2-pyrrol-3-ylideneethylidene]-1H-pyrazol-2-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 3-[[(5E)-5-[(2E)-2-pyrrol-3-ylideneethylidene]-1H-pyrazol-2-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[(5E)-5-[(2E)-2-pyrrol-3-ylideneethylidene]-1H-pyrazole-2-carbonyl]benzonitrile CAS Name: 3-[oxo-[(5E)-5-[(2E)-2-(3-pyrrolylidene)ethylidene]-1H-pyrazol-2-yl]methyl]benzonitrile IUPAC Name: 3-[(5E)-5-[(2E)-2-pyrrol-3-ylideneethylidene]-1H-pyrazole-2-carbonyl]benzonitrile Traditional Name: 3-[(3E)-3-[(2E)-2-pyrrol-3-ylideneethylidene]-3-pyrazoline-1-carbonyl]benzonitrile Formula: C17H12N4O MolecularWeight: 288.30338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)N2C=CC(=CC=C3C=CN=C3)N2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)N2C=C/C(=C\C=C\3/C=CN=C3)/N2)C#N

InChI

InChI=1S/C17H12N4O/c18-11-14-2-1-3-15(10-14)17(22)21-9-7-16(20-21)5-4-13-6-8-19-12-13/h1-10,12,20H/b13-4+,16-5+