methyl 2-(4-nitrophenyl)-5-oxidanylidene-5-phenyl-pentanoate

Systemtic Name: methyl 2-(4-nitrophenyl)-5-oxidanylidene-5-phenyl-pentanoate Openeye Name: methyl 2-(4-nitrophenyl)-5-oxo-5-phenyl-pentanoate CAS Name: 2-(4-nitrophenyl)-5-oxo-5-phenylpentanoic acid methyl ester IUPAC Name: methyl 2-(4-nitrophenyl)-5-oxo-5-phenylpentanoate Traditional Name: 5-keto-2-(4-nitrophenyl)-5-phenyl-valeric acid methyl ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5/c1-24-18(21)16(13-7-9-15(10-8-13)19(22)23)11-12-17(20)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3