(2E)-2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-pentanedioic acid

Systemtic Name: (2E)-2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-pentanedioic acid Openeye Name: (2E)-2-[(4-nitrophenyl)methylene]-3-oxo-pentanedioic acid CAS Name: (2E)-2-[(4-nitrophenyl)methylidene]-3-oxopentanedioic acid IUPAC Name: (2E)-2-[(4-nitrophenyl)methylidene]-3-oxopentanedioic acid Traditional Name: (2E)-3-keto-2-(4-nitrobenzylidene)glutaric acid Formula: C12H9NO7 MolecularWeight: 279.20236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=C(C(=O)CC(=O)O)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H9NO7/c14-10(6-11(15)16)9(12(17)18)5-7-1-3-8(4-2-7)13(19)20/h1-5H,6H2,(H,15,16)(H,17,18)/b9-5+