(2-methylquinolin-8-yl) (4E)-4-[(4-chloranyl-3-nitro-phenyl)carbonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: (2-methylquinolin-8-yl) (4E)-4-[(4-chloranyl-3-nitro-phenyl)carbonylhydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (2-methyl-8-quinolyl) (4E)-4-[(4-chloro-3-nitro-benzoyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-4-[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazinylidene]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid (2-methyl-8-quinolinyl) ester IUPAC Name: (2-methylquinolin-8-yl) (4E)-4-[(4-chloro-3-nitrobenzoyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-4-[(4-chloro-3-nitro-benzoyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid (2-methyl-8-quinolyl) ester Formula: C27H21ClN4O6 MolecularWeight: 532.93184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OC(=O)C3=C(C4=C(O3)CCCC4=NNC(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-])C)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OC(=O)C3=C(C\4=C(O3)CCC/C4=N\NC(=O)C5=CC(=C(C=C5)Cl)[N+](=O)[O-])C)C=C1

InChI

InChI=1S/C27H21ClN4O6/c1-14-9-10-16-5-3-8-22(24(16)29-14)38-27(34)25-15(2)23-19(6-4-7-21(23)37-25)30-31-26(33)17-11-12-18(28)20(13-17)32(35)36/h3,5,8-13H,4,6-7H2,1-2H3,(H,31,33)/b30-19+