(3E)-3-[(4-butoxy-3-ethoxy-phenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: (3E)-3-[(4-butoxy-3-ethoxy-phenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3E)-3-[(4-butoxy-3-ethoxy-phenyl)methylene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: (3E)-3-[(4-butoxy-3-ethoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: (3E)-3-[(4-butoxy-3-ethoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: (3E)-3-(4-butoxy-3-ethoxy-benzylidene)-9-keto-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Formula: C25H25N2O5- MolecularWeight: 433.4764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C2CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)[O-])OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/2\CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)[O-])OCC

InChI

InChI=1S/C25H26N2O5/c1-3-5-12-32-21-9-6-16(14-22(21)31-4-2)13-17-10-11-27-23(17)26-20-15-18(25(29)30)7-8-19(20)24(27)28/h6-9,13-15H,3-5,10-12H2,1-2H3,(H,29,30)/p-1/b17-13+