benzenecarbonitrile; (2E,4E)-5-(4-nitrophenyl)penta-2,4-dienal

Systemtic Name: benzenecarbonitrile; (2E,4E)-5-(4-nitrophenyl)penta-2,4-dienal Openeye Name: benzonitrile; (2E,4E)-5-(4-nitrophenyl)penta-2,4-dienal CAS Name: benzonitrile; (2E,4E)-5-(4-nitrophenyl)penta-2,4-dienal IUPAC Name: benzonitrile; (2E,4E)-5-(4-nitrophenyl)penta-2,4-dienal Traditional Name: benzonitrile; (2E,4E)-5-(4-nitrophenyl)penta-2,4-dienal Formula: C18H14N2O3 MolecularWeight: 306.31536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#N.C1=CC(=CC=C1C=CC=CC=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#N.C1=CC(=CC=C1/C=C/C=C/C=O)[N+](=O)[O-]

InChI

InChI=1S/C11H9NO3.C7H5N/c13-9-3-1-2-4-10-5-7-11(8-6-10)12(14)15;8-6-7-4-2-1-3-5-7/h1-9H;1-5H/b3-1+,4-2+;