(5-bromanylquinolin-8-yl) (4E)-4-[bis(azanyl)methylidenehydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: (5-bromanylquinolin-8-yl) (4E)-4-[bis(azanyl)methylidenehydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (5-bromo-8-quinolyl) (4E)-4-(diaminomethylenehydrazono)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-4-(diaminomethylidenehydrazinylidene)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid (5-bromo-8-quinolinyl) ester IUPAC Name: (5-bromoquinolin-8-yl) (4E)-4-(diaminomethylidenehydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-4-(diaminomethylenehydrazono)-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid (5-bromo-8-quinolyl) ester Formula: C20H18BrN5O3 MolecularWeight: 456.29262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NN=C(N)N)CCC2)C(=O)OC3=C4C(=C(C=C3)Br)C=CC=N4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/N=C(N)N)/CCC2)C(=O)OC3=C4C(=C(C=C3)Br)C=CC=N4

InChI

InChI=1S/C20H18BrN5O3/c1-10-16-13(25-26-20(22)23)5-2-6-14(16)28-18(10)19(27)29-15-8-7-12(21)11-4-3-9-24-17(11)15/h3-4,7-9H,2,5-6H2,1H3,(H4,22,23,26)/b25-13+