methyl (E)-6-(2-nitrophenyl)-3-oxidanylidene-hex-5-enoate

Systemtic Name: methyl (E)-6-(2-nitrophenyl)-3-oxidanylidene-hex-5-enoate Openeye Name: methyl (E)-6-(2-nitrophenyl)-3-oxo-hex-5-enoate CAS Name: (E)-6-(2-nitrophenyl)-3-oxo-5-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-(2-nitrophenyl)-3-oxohex-5-enoate Traditional Name: (E)-3-keto-6-(2-nitrophenyl)hex-5-enoic acid methyl ester Formula: C13H13NO5 MolecularWeight: 263.24602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO5/c1-19-13(16)9-11(15)7-4-6-10-5-2-3-8-12(10)14(17)18/h2-6,8H,7,9H2,1H3/b6-4+