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

Systemtic Name: methyl (3R,4S)-2-methylidene-4-(4-nitrophenyl)-4-oxidanyl-3-phenyl-butanoate Openeye Name: methyl (3R,4S)-4-hydroxy-2-methylene-4-(4-nitrophenyl)-3-phenyl-butanoate CAS Name: (3R,4S)-4-hydroxy-2-methylene-4-(4-nitrophenyl)-3-phenylbutanoic acid methyl ester IUPAC Name: methyl (3R,4S)-4-hydroxy-2-methylidene-4-(4-nitrophenyl)-3-phenylbutanoate Traditional Name: 2-[(1R,2S)-2-hydroxy-2-(4-nitrophenyl)-1-phenyl-ethyl]acrylic acid methyl ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5/c1-12(18(21)24-2)16(13-6-4-3-5-7-13)17(20)14-8-10-15(11-9-14)19(22)23/h3-11,16-17,20H,1H2,2H3/t16-,17+/m0/s1