2-[(3E)-5-tert-butyl-3-[(5-chloranyl-2-nitro-phenyl)hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoic acid

Systemtic Name: 2-[(3E)-5-tert-butyl-3-[(5-chloranyl-2-nitro-phenyl)hydrazinylidene]-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoic acid Openeye Name: 2-[(3E)-5-tert-butyl-3-[(5-chloro-2-nitro-phenyl)hydrazono]-4-oxo-cyclohexa-1,5-dien-1-yl]propanoic acid CAS Name: 2-[(3E)-5-tert-butyl-3-[(5-chloro-2-nitrophenyl)hydrazinylidene]-4-oxo-1-cyclohexa-1,5-dienyl]propanoic acid IUPAC Name: 2-[(3E)-5-tert-butyl-3-[(5-chloro-2-nitrophenyl)hydrazinylidene]-4-oxocyclohexa-1,5-dien-1-yl]propanoic acid Traditional Name: 2-[(3E)-5-tert-butyl-3-[(5-chloro-2-nitro-phenyl)hydrazono]-4-keto-cyclohexa-1,5-dien-1-yl]propionic acid Formula: C19H20ClN3O5 MolecularWeight: 405.8322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=NNC2=C(C=CC(=C2)Cl)[N+](=O)[O-])C(=O)C(=C1)C(C)(C)C)C(=O)O

Isomeric SMILES

CC(C1=C/C(=N\NC2=C(C=CC(=C2)Cl)[N+](=O)[O-])/C(=O)C(=C1)C(C)(C)C)C(=O)O

InChI

InChI=1S/C19H20ClN3O5/c1-10(18(25)26)11-7-13(19(2,3)4)17(24)15(8-11)22-21-14-9-12(20)5-6-16(14)23(27)28/h5-10,21H,1-4H3,(H,25,26)/b22-15+