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

Systemtic Name: (3E)-3-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3E)-3-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: (3E)-3-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: (3E)-3-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: (3E)-3-(3-ethoxy-4-propargyloxy-benzylidene)-9-keto-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Formula: C24H19N2O5- MolecularWeight: 415.41806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)[O-])OCC#C

Isomeric SMILES

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

InChI

InChI=1S/C24H20N2O5/c1-3-11-31-20-8-5-15(13-21(20)30-4-2)12-16-9-10-26-22(16)25-19-14-17(24(28)29)6-7-18(19)23(26)27/h1,5-8,12-14H,4,9-11H2,2H3,(H,28,29)/p-1/b16-12+