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

Systemtic Name: methyl (3R,4S)-3-(4-chlorophenyl)-2-methylidene-4-(4-nitrophenyl)-4-oxidanyl-butanoate Openeye Name: methyl (3R,4S)-3-(4-chlorophenyl)-4-hydroxy-2-methylene-4-(4-nitrophenyl)butanoate CAS Name: (3R,4S)-3-(4-chlorophenyl)-4-hydroxy-2-methylene-4-(4-nitrophenyl)butanoic acid methyl ester IUPAC Name: methyl (3R,4S)-3-(4-chlorophenyl)-4-hydroxy-2-methylidene-4-(4-nitrophenyl)butanoate Traditional Name: 2-[(1R,2S)-1-(4-chlorophenyl)-2-hydroxy-2-(4-nitrophenyl)ethyl]acrylic acid methyl ester Formula: C18H16ClNO5 MolecularWeight: 361.77634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClNO5/c1-11(18(22)25-2)16(12-3-7-14(19)8-4-12)17(21)13-5-9-15(10-6-13)20(23)24/h3-10,16-17,21H,1H2,2H3/t16-,17+/m0/s1