[4-[(E)-2-cyano-2-(4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]phenyl] (E)-3-phenylprop-2-enoate

Systemtic Name: [4-[(E)-2-cyano-2-(4-oxidanylidene-1H-quinazolin-2-yl)ethenyl]phenyl] (E)-3-phenylprop-2-enoate Openeye Name: [4-[(E)-2-cyano-2-(4-oxo-1H-quinazolin-2-yl)vinyl]phenyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [4-[(E)-2-cyano-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]phenyl] ester IUPAC Name: [4-[(E)-2-cyano-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]phenyl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [4-[(E)-2-cyano-2-(4-keto-1H-quinazolin-2-yl)vinyl]phenyl] ester Formula: C26H17N3O3 MolecularWeight: 419.43148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)/C=C(\C#N)/C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C26H17N3O3/c27-17-20(25-28-23-9-5-4-8-22(23)26(31)29-25)16-19-10-13-21(14-11-19)32-24(30)15-12-18-6-2-1-3-7-18/h1-16H,(H,28,29,31)/b15-12+,20-16+