(4E)-3-methyl-4-[(4-nitrophenyl)carbonylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid

Systemtic Name: (4E)-3-methyl-4-[(4-nitrophenyl)carbonylhydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid Openeye Name: (4E)-3-methyl-4-[(4-nitrobenzoyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylic acid CAS Name: (4E)-3-methyl-4-[[(4-nitrophenyl)-oxomethyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid IUPAC Name: (4E)-3-methyl-4-[(4-nitrobenzoyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylic acid Traditional Name: (4E)-3-methyl-4-[(4-nitrobenzoyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylic acid Formula: C17H15N3O6 MolecularWeight: 357.3175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O6/c1-9-14-12(3-2-4-13(14)26-15(9)17(22)23)18-19-16(21)10-5-7-11(8-6-10)20(24)25/h5-8H,2-4H2,1H3,(H,19,21)(H,22,23)/b18-12+