potassium (4E)-3-methyl-4-[2-(4-nitrophenyl)ethanoylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: potassium (4E)-3-methyl-4-[2-(4-nitrophenyl)ethanoylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: potassium (4E)-3-methyl-4-[[2-(4-nitrophenyl)acetyl]hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: potassium (4E)-3-methyl-4-[[2-(4-nitrophenyl)-1-oxoethyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylate IUPAC Name: potassium (4E)-3-methyl-4-[[2-(4-nitrophenyl)acetyl]hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: potassium (4E)-3-methyl-4-[[2-(4-nitrophenyl)acetyl]hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylate Formula: C18H16KN3O6 MolecularWeight: 409.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])CCC2)C(=O)[O-].[K+]

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)CC3=CC=C(C=C3)[N+](=O)[O-])/CCC2)C(=O)[O-].[K+]

InChI

InChI=1S/C18H17N3O6.K/c1-10-16-13(3-2-4-14(16)27-17(10)18(23)24)19-20-15(22)9-11-5-7-12(8-6-11)21(25)26;/h5-8H,2-4,9H2,1H3,(H,20,22)(H,23,24);/q;+1/p-1/b19-13+;