methyl (3R,5S)-3,5-bis[(4-nitrophenyl)methoxy]cyclohexene-1-carboxylate

Systemtic Name: methyl (3R,5S)-3,5-bis[(4-nitrophenyl)methoxy]cyclohexene-1-carboxylate Openeye Name: methyl (3R,5S)-3,5-bis[(4-nitrophenyl)methoxy]cyclohexene-1-carboxylate CAS Name: (3R,5S)-3,5-bis[(4-nitrophenyl)methoxy]-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl (3R,5S)-3,5-bis[(4-nitrophenyl)methoxy]cyclohexene-1-carboxylate Traditional Name: (3R,5S)-3,5-bis[(4-nitrobenzyl)oxy]cyclohexene-1-carboxylic acid methyl ester Formula: C22H22N2O8 MolecularWeight: 442.41868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(CC(C1)OCC2=CC=C(C=C2)[N+](=O)[O-])OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C[C@@H](C[C@H](C1)OCC2=CC=C(C=C2)[N+](=O)[O-])OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O8/c1-30-22(25)17-10-20(31-13-15-2-6-18(7-3-15)23(26)27)12-21(11-17)32-14-16-4-8-19(9-5-16)24(28)29/h2-10,20-21H,11-14H2,1H3/t20-,21-/m0/s1