(2E)-3-oxidanylidene-2-[oxidanyl-[[4-(phenylcarbonyl)phenyl]amino]methylidene]heptanenitrile

Systemtic Name: (2E)-3-oxidanylidene-2-[oxidanyl-[[4-(phenylcarbonyl)phenyl]amino]methylidene]heptanenitrile Openeye Name: (2E)-2-[(4-benzoylanilino)-hydroxy-methylene]-3-oxo-heptanenitrile CAS Name: (2E)-2-[(4-benzoylanilino)-hydroxymethylidene]-3-oxoheptanenitrile IUPAC Name: (2E)-2-[(4-benzoylanilino)-hydroxymethylidene]-3-oxoheptanenitrile Traditional Name: (E)-3-(4-benzoylanilino)-3-hydroxy-2-valeryl-acrylonitrile Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C(=C(NC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)O)C#N

Isomeric SMILES

CCCCC(=O)/C(=C(\NC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)/O)/C#N

InChI

InChI=1S/C21H20N2O3/c1-2-3-9-19(24)18(14-22)21(26)23-17-12-10-16(11-13-17)20(25)15-7-5-4-6-8-15/h4-8,10-13,23,26H,2-3,9H2,1H3/b21-18+