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

Systemtic Name: (2-methylquinolin-8-yl) (4E)-4-[bis(azanyl)methylidenehydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (2-methyl-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 (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-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 (2-methyl-8-quinolyl) ester Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C3=C(C4=C(O3)CCCC4=NN=C(N)N)C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C3=C(C\4=C(O3)CCC/C4=N\N=C(N)N)C)C=C1

InChI

InChI=1S/C21H21N5O3/c1-11-9-10-13-5-3-8-16(18(13)24-11)29-20(27)19-12(2)17-14(25-26-21(22)23)6-4-7-15(17)28-19/h3,5,8-10H,4,6-7H2,1-2H3,(H4,22,23,26)/b25-14+