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

Systemtic Name: (3Z)-3-[(3-nitrophenyl)methylidene]-4-oxidanylidene-pentanoic acid Openeye Name: (3Z)-3-[(3-nitrophenyl)methylene]-4-oxo-pentanoic acid CAS Name: (3Z)-3-[(3-nitrophenyl)methylidene]-4-oxopentanoic acid IUPAC Name: (3Z)-3-[(3-nitrophenyl)methylidene]-4-oxopentanoic acid Traditional Name: (Z)-3-acetyl-4-(3-nitrophenyl)but-3-enoic acid Formula: C12H11NO5 MolecularWeight: 249.21944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO5/c1-8(14)10(7-12(15)16)5-9-3-2-4-11(6-9)13(17)18/h2-6H,7H2,1H3,(H,15,16)/b10-5-