methyl (3R,4S)-3-methyl-2-methylidene-4-(4-nitrophenyl)-4-oxidanyl-butanoate

Systemtic Name: methyl (3R,4S)-3-methyl-2-methylidene-4-(4-nitrophenyl)-4-oxidanyl-butanoate Openeye Name: methyl (3R,4S)-4-hydroxy-3-methyl-2-methylene-4-(4-nitrophenyl)butanoate CAS Name: (3R,4S)-4-hydroxy-3-methyl-2-methylene-4-(4-nitrophenyl)butanoic acid methyl ester IUPAC Name: methyl (3R,4S)-4-hydroxy-3-methyl-2-methylidene-4-(4-nitrophenyl)butanoate Traditional Name: 2-[(1R,2S)-2-hydroxy-1-methyl-2-(4-nitrophenyl)ethyl]acrylic acid methyl ester Formula: C13H15NO5 MolecularWeight: 265.2619

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5/c1-8(9(2)13(16)19-3)12(15)10-4-6-11(7-5-10)14(17)18/h4-8,12,15H,2H2,1,3H3/t8-,12+/m1/s1