bis(phenylmethyl) 2-[(1R)-1-(2-nitrophenyl)-3-oxidanylidene-butyl]propanedioate

Systemtic Name: bis(phenylmethyl) 2-[(1R)-1-(2-nitrophenyl)-3-oxidanylidene-butyl]propanedioate Openeye Name: dibenzyl 2-[(1R)-1-(2-nitrophenyl)-3-oxo-butyl]propanedioate CAS Name: 2-[(1R)-1-(2-nitrophenyl)-3-oxobutyl]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-[(1R)-1-(2-nitrophenyl)-3-oxobutyl]propanedioate Traditional Name: 2-[(1R)-3-keto-1-(2-nitrophenyl)butyl]malonic acid dibenzyl ester Formula: C27H25NO7 MolecularWeight: 475.4899

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C1=CC=CC=C1[N+](=O)[O-])C(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C[C@@H](C1=CC=CC=C1[N+](=O)[O-])C(C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H25NO7/c1-19(29)16-23(22-14-8-9-15-24(22)28(32)33)25(26(30)34-17-20-10-4-2-5-11-20)27(31)35-18-21-12-6-3-7-13-21/h2-15,23,25H,16-18H2,1H3/t23-/m0/s1