methyl 2-(2-nitro-1-phenyl-ethyl)-3-oxidanylidene-pentanoate

Systemtic Name: methyl 2-(2-nitro-1-phenyl-ethyl)-3-oxidanylidene-pentanoate Openeye Name: methyl 2-(2-nitro-1-phenyl-ethyl)-3-oxo-pentanoate CAS Name: 2-(2-nitro-1-phenylethyl)-3-oxopentanoic acid methyl ester IUPAC Name: methyl 2-(2-nitro-1-phenylethyl)-3-oxopentanoate Traditional Name: 3-keto-2-(2-nitro-1-phenyl-ethyl)valeric acid methyl ester Formula: C14H17NO5 MolecularWeight: 279.28848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO5/c1-3-12(16)13(14(17)20-2)11(9-15(18)19)10-7-5-4-6-8-10/h4-8,11,13H,3,9H2,1-2H3