O1-ethyl O3-methyl 2-(2-nitro-1-phenyl-ethyl)-2-(phenylmethyl)propanedioate

Systemtic Name: O1-ethyl O3-methyl 2-(2-nitro-1-phenyl-ethyl)-2-(phenylmethyl)propanedioate Openeye Name: O1-ethyl O3-methyl 2-benzyl-2-(2-nitro-1-phenyl-ethyl)propanedioate CAS Name: 2-(2-nitro-1-phenylethyl)-2-(phenylmethyl)propanedioic acid O1-ethyl ester O3-methyl ester IUPAC Name: 1-O-ethyl 3-O-methyl 2-benzyl-2-(2-nitro-1-phenylethyl)propanedioate Traditional Name: 2-benzyl-2-(2-nitro-1-phenyl-ethyl)malonic acid O1-ethyl ester O3-methyl ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)(C(C[N+](=O)[O-])C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)(C(C[N+](=O)[O-])C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C21H23NO6/c1-3-28-20(24)21(19(23)27-2,14-16-10-6-4-7-11-16)18(15-22(25)26)17-12-8-5-9-13-17/h4-13,18H,3,14-15H2,1-2H3