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

Systemtic Name: (3E)-3-[(5-bromanyl-2-propoxy-phenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3E)-3-[(5-bromo-2-propoxy-phenyl)methylene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: (3E)-3-[(5-bromo-2-propoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: (3E)-3-[(5-bromo-2-propoxyphenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: (3E)-3-(5-bromo-2-propoxy-benzylidene)-9-keto-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Formula: C22H18BrN2O4- MolecularWeight: 454.29332

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C=C2CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)/C=C/2\CCN3C2=NC4=C(C3=O)C=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C22H19BrN2O4/c1-2-9-29-19-6-4-16(23)11-15(19)10-13-7-8-25-20(13)24-18-12-14(22(27)28)3-5-17(18)21(25)26/h3-6,10-12H,2,7-9H2,1H3,(H,27,28)/p-1/b13-10+