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

Systemtic Name: (3E)-3-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3E)-3-[(3-hydroxy-4-methoxy-phenyl)methylene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: (3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: (3E)-3-[(3-hydroxy-4-methoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: (3E)-3-(3-hydroxy-4-methoxy-benzylidene)-9-keto-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Formula: C20H15N2O5- MolecularWeight: 363.3435

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)[O-])O

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/2\CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)[O-])O

InChI

InChI=1S/C20H16N2O5/c1-27-17-5-2-11(9-16(17)23)8-12-6-7-22-18(12)21-15-10-13(20(25)26)3-4-14(15)19(22)24/h2-5,8-10,23H,6-7H2,1H3,(H,25,26)/p-1/b12-8+