(4E)-4-[(4-chloranyl-3-nitro-phenyl)carbonylhydrazinylidene]-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylic acid

Systemtic Name: (4E)-4-[(4-chloranyl-3-nitro-phenyl)carbonylhydrazinylidene]-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylic acid Openeye Name: (4E)-4-[(4-chloro-3-nitro-benzoyl)hydrazono]-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylic acid CAS Name: (4E)-4-[[(4-chloro-3-nitrophenyl)-oxomethyl]hydrazinylidene]-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylic acid IUPAC Name: (4E)-4-[(4-chloro-3-nitrobenzoyl)hydrazinylidene]-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxylic acid Traditional Name: (4E)-4-[(4-chloro-3-nitro-benzoyl)hydrazono]-3,6,6-trimethyl-5,7-dihydrobenzofuran-2-carboxylic acid Formula: C19H18ClN3O6 MolecularWeight: 419.81572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])CC(C2)(C)C)C(=O)O

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])/CC(C2)(C)C)C(=O)O

InChI

InChI=1S/C19H18ClN3O6/c1-9-15-12(7-19(2,3)8-14(15)29-16(9)18(25)26)21-22-17(24)10-4-5-11(20)13(6-10)23(27)28/h4-6H,7-8H2,1-3H3,(H,22,24)(H,25,26)/b21-12+