(3E)-3-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate

Systemtic Name: (3E)-3-[(3-bromanyl-4-ethoxy-5-methoxy-phenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3E)-3-[(3-bromo-4-ethoxy-5-methoxy-phenyl)methylene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: (3E)-3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: (3E)-3-[(3-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: (3E)-3-(3-bromo-4-ethoxy-5-methoxy-benzylidene)-9-keto-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Formula: C22H18BrN2O5- MolecularWeight: 470.29272

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C=C2CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)/C=C/2\CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)[O-])OC

InChI

InChI=1S/C22H19BrN2O5/c1-3-30-19-16(23)9-12(10-18(19)29-2)8-13-6-7-25-20(13)24-17-11-14(22(27)28)4-5-15(17)21(25)26/h4-5,8-11H,3,6-7H2,1-2H3,(H,27,28)/p-1/b13-8+