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

Systemtic Name: (3E)-3-[(3-bromanyl-5-methoxy-4-prop-2-enoxy-phenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3E)-3-[(4-allyloxy-3-bromo-5-methoxy-phenyl)methylene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: (3E)-3-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: (3E)-3-[(3-bromo-5-methoxy-4-prop-2-enoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: (3E)-3-(4-allyloxy-3-bromo-5-methoxy-benzylidene)-9-keto-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Formula: C23H18BrN2O5- MolecularWeight: 482.30342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrN2O5/c1-3-8-31-20-17(24)10-13(11-19(20)30-2)9-14-6-7-26-21(14)25-18-12-15(23(28)29)4-5-16(18)22(26)27/h3-5,9-12H,1,6-8H2,2H3,(H,28,29)/p-1/b14-9+