methyl 4-cyano-3-(4-nitrophenyl)-5-oxidanylidene-5-phenyl-2-propanoyl-pentanoate

Systemtic Name: methyl 4-cyano-3-(4-nitrophenyl)-5-oxidanylidene-5-phenyl-2-propanoyl-pentanoate Openeye Name: methyl 4-cyano-3-(4-nitrophenyl)-5-oxo-5-phenyl-2-propanoyl-pentanoate CAS Name: 4-cyano-3-(4-nitrophenyl)-5-oxo-2-(1-oxopropyl)-5-phenylpentanoic acid methyl ester IUPAC Name: methyl 4-cyano-3-(4-nitrophenyl)-5-oxo-5-phenyl-2-propanoylpentanoate Traditional Name: 4-cyano-5-keto-3-(4-nitrophenyl)-5-phenyl-2-propionyl-valeric acid methyl ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])C(C#N)C(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])C(C#N)C(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C22H20N2O6/c1-3-18(25)20(22(27)30-2)19(14-9-11-16(12-10-14)24(28)29)17(13-23)21(26)15-7-5-4-6-8-15/h4-12,17,19-20H,3H2,1-2H3