methyl (2S,3S)-2-methyl-3,4-bis(4-nitrophenyl)-3-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: methyl (2S,3S)-2-methyl-3,4-bis(4-nitrophenyl)-3-oxidanyl-4-oxidanylidene-butanoate Openeye Name: methyl (2S,3S)-3-hydroxy-2-methyl-3,4-bis(4-nitrophenyl)-4-oxo-butanoate CAS Name: (2S,3S)-3-hydroxy-2-methyl-3,4-bis(4-nitrophenyl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-hydroxy-2-methyl-3,4-bis(4-nitrophenyl)-4-oxobutanoate Traditional Name: (2S,3S)-3-hydroxy-4-keto-2-methyl-3,4-bis(4-nitrophenyl)butyric acid methyl ester Formula: C18H16N2O8 MolecularWeight: 388.32824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)OC)[C@](C1=CC=C(C=C1)[N+](=O)[O-])(C(=O)C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C18H16N2O8/c1-11(17(22)28-2)18(23,13-5-9-15(10-6-13)20(26)27)16(21)12-3-7-14(8-4-12)19(24)25/h3-11,23H,1-2H3/t11-,18+/m1/s1