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

Systemtic Name: (2E)-2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-pentanoic acid Openeye Name: (2E)-2-[(4-nitrophenyl)methylene]-3-oxo-pentanoic acid CAS Name: (2E)-2-[(4-nitrophenyl)methylidene]-3-oxopentanoic acid IUPAC Name: (2E)-2-[(4-nitrophenyl)methylidene]-3-oxopentanoic acid Traditional Name: (E)-3-(4-nitrophenyl)-2-propionyl-acrylic acid Formula: C12H11NO5 MolecularWeight: 249.21944

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(=CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO5/c1-2-11(14)10(12(15)16)7-8-3-5-9(6-4-8)13(17)18/h3-7H,2H2,1H3,(H,15,16)/b10-7+