(3E)-9-oxidanylidene-3-[(2-phenylmethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: (3E)-9-oxidanylidene-3-[(2-phenylmethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3E)-3-[(2-benzyloxyphenyl)methylene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: (3E)-9-oxo-3-[(2-phenylmethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: (3E)-9-oxo-3-[(2-phenylmethoxyphenyl)methylidene]-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: (3E)-3-(2-benzoxybenzylidene)-9-keto-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Formula: C26H19N2O4- MolecularWeight: 423.44006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)[O-])C1=CC4=CC=CC=C4OCC5=CC=CC=C5

Isomeric SMILES

C\1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)[O-])/C1=C/C4=CC=CC=C4OCC5=CC=CC=C5

InChI

InChI=1S/C26H20N2O4/c29-25-21-11-10-20(26(30)31)15-22(21)27-24-19(12-13-28(24)25)14-18-8-4-5-9-23(18)32-16-17-6-2-1-3-7-17/h1-11,14-15H,12-13,16H2,(H,30,31)/p-1/b19-14+