dimethyl 2-[(1S)-1-(4-nitrophenyl)-3-oxidanylidene-butyl]propanedioate

Systemtic Name: dimethyl 2-[(1S)-1-(4-nitrophenyl)-3-oxidanylidene-butyl]propanedioate Openeye Name: dimethyl 2-[(1S)-1-(4-nitrophenyl)-3-oxo-butyl]propanedioate CAS Name: 2-[(1S)-1-(4-nitrophenyl)-3-oxobutyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(1S)-1-(4-nitrophenyl)-3-oxobutyl]propanedioate Traditional Name: 2-[(1S)-3-keto-1-(4-nitrophenyl)butyl]malonic acid dimethyl ester Formula: C15H17NO7 MolecularWeight: 323.29798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO7/c1-9(17)8-12(13(14(18)22-2)15(19)23-3)10-4-6-11(7-5-10)16(20)21/h4-7,12-13H,8H2,1-3H3/t12-/m1/s1