O1-ethyl O5-methyl 2-ethanoyl-3-[(E)-2-(2-nitrophenyl)ethenyl]-4-propanoyl-pentanedioate

Systemtic Name: O1-ethyl O5-methyl 2-ethanoyl-3-[(E)-2-(2-nitrophenyl)ethenyl]-4-propanoyl-pentanedioate Openeye Name: O1-ethyl O5-methyl 2-acetyl-3-[(E)-2-(2-nitrophenyl)vinyl]-4-propanoyl-pentanedioate CAS Name: 2-acetyl-3-[(E)-2-(2-nitrophenyl)ethenyl]-4-(1-oxopropyl)pentanedioic acid O1-ethyl ester O5-methyl ester IUPAC Name: 1-O-ethyl 5-O-methyl 2-acetyl-3-[(E)-2-(2-nitrophenyl)ethenyl]-4-propanoylpentanedioate Traditional Name: 2-acetyl-3-[(E)-2-(2-nitrophenyl)vinyl]-4-propionyl-glutaric acid O1-ethyl ester O5-methyl ester Formula: C21H25NO8 MolecularWeight: 419.4251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO8/c1-5-17(24)19(20(25)29-4)15(18(13(3)23)21(26)30-6-2)12-11-14-9-7-8-10-16(14)22(27)28/h7-12,15,18-19H,5-6H2,1-4H3/b12-11+