dimethyl (2S)-2-[(4-nitrophenyl)methyl]-2-oxidanyl-butanedioate

Systemtic Name: dimethyl (2S)-2-[(4-nitrophenyl)methyl]-2-oxidanyl-butanedioate Openeye Name: dimethyl (2S)-2-hydroxy-2-[(4-nitrophenyl)methyl]butanedioate CAS Name: (2S)-2-hydroxy-2-[(4-nitrophenyl)methyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-hydroxy-2-[(4-nitrophenyl)methyl]butanedioate Traditional Name: (2S)-2-hydroxy-2-(4-nitrobenzyl)succinic acid dimethyl ester Formula: C13H15NO7 MolecularWeight: 297.2607

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C[C@@](CC1=CC=C(C=C1)[N+](=O)[O-])(C(=O)OC)O

InChI

InChI=1S/C13H15NO7/c1-20-11(15)8-13(17,12(16)21-2)7-9-3-5-10(6-4-9)14(18)19/h3-6,17H,7-8H2,1-2H3/t13-/m0/s1