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

Systemtic Name: (3E)-3-[(3-bromophenyl)methylidene]-9-oxidanylidene-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Openeye Name: (3E)-3-[(3-bromophenyl)methylene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate CAS Name: (3E)-3-[(3-bromophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate IUPAC Name: (3E)-3-[(3-bromophenyl)methylidene]-9-oxo-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Traditional Name: (3E)-3-(3-bromobenzylidene)-9-keto-1,2-dihydropyrrolo[2,1-b]quinazoline-6-carboxylate Formula: C19H12BrN2O3- MolecularWeight: 396.21418

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)[O-])C1=CC4=CC(=CC=C4)Br

Isomeric SMILES

C\1CN2C(=NC3=C(C2=O)C=CC(=C3)C(=O)[O-])/C1=C/C4=CC(=CC=C4)Br

InChI

InChI=1S/C19H13BrN2O3/c20-14-3-1-2-11(9-14)8-12-6-7-22-17(12)21-16-10-13(19(24)25)4-5-15(16)18(22)23/h1-5,8-10H,6-7H2,(H,24,25)/p-1/b12-8+