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

Systemtic Name: (2E)-2-[(4-nitrophenyl)methylidene]-3-oxidanylidene-heptanoic acid Openeye Name: (2E)-2-[(4-nitrophenyl)methylene]-3-oxo-heptanoic acid CAS Name: (2E)-2-[(4-nitrophenyl)methylidene]-3-oxoheptanoic acid IUPAC Name: (2E)-2-[(4-nitrophenyl)methylidene]-3-oxoheptanoic acid Traditional Name: (E)-3-(4-nitrophenyl)-2-valeryl-acrylic acid Formula: C14H15NO5 MolecularWeight: 277.2726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO5/c1-2-3-4-13(16)12(14(17)18)9-10-5-7-11(8-6-10)15(19)20/h5-9H,2-4H2,1H3,(H,17,18)/b12-9+