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

Systemtic Name: (3E)-3-[(2-ethoxyphenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3E)-3-[(2-ethoxyphenyl)methylene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: (3E)-3-[(2-ethoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: (3E)-3-[(2-ethoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: (3E)-3-(2-ethoxybenzylidene)-9-keto-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Formula: C21H17N2O4- MolecularWeight: 361.37068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=C2CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1/C=C/2\CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C21H18N2O4/c1-2-27-18-6-4-3-5-13(18)11-14-9-10-23-19(14)22-17-12-15(21(25)26)7-8-16(17)20(23)24/h3-8,11-12H,2,9-10H2,1H3,(H,25,26)/p-1/b14-11+