(E)-6-(3-nitrophenyl)-3-oxidanylidene-hex-5-enoic acid

Systemtic Name: (E)-6-(3-nitrophenyl)-3-oxidanylidene-hex-5-enoic acid Openeye Name: (E)-6-(3-nitrophenyl)-3-oxo-hex-5-enoic acid CAS Name: (E)-6-(3-nitrophenyl)-3-oxo-5-hexenoic acid IUPAC Name: (E)-6-(3-nitrophenyl)-3-oxohex-5-enoic acid Traditional Name: (E)-3-keto-6-(3-nitrophenyl)hex-5-enoic acid Formula: C12H11NO5 MolecularWeight: 249.21944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO5/c14-11(8-12(15)16)6-2-4-9-3-1-5-10(7-9)13(17)18/h1-5,7H,6,8H2,(H,15,16)/b4-2+