4-[(E)-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-2-cyano-ethenyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-2-(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)-2-cyano-ethenyl]benzenecarbonitrile Openeye Name: 4-[(E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-2-cyano-vinyl]benzonitrile CAS Name: 4-[(E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-2-cyanoethenyl]benzonitrile IUPAC Name: 4-[(E)-2-(7-chloro-4-oxo-1H-quinazolin-2-yl)-2-cyanoethenyl]benzonitrile Traditional Name: 4-[(E)-2-(7-chloro-4-keto-1H-quinazolin-2-yl)-2-cyano-vinyl]benzonitrile Formula: C18H9ClN4O MolecularWeight: 332.74326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C#N)C2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC(=CC=C1/C=C(\C#N)/C2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C#N

InChI

InChI=1S/C18H9ClN4O/c19-14-5-6-15-16(8-14)22-17(23-18(15)24)13(10-21)7-11-1-3-12(9-20)4-2-11/h1-8H,(H,22,23,24)/b13-7+