76093-33-9
(R)-(-)-1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-3,5-PYRIDINEDICARBOXYLIC ACID MONOMETHYL ESTER
Name(R)-(-)-1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-3,5-PYRIDINEDICARBOXYLIC ACID MONOMETHYL ESTER
1Identification
【Name】
(R)-(-)-1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-3,5-PYRIDINEDICARBOXYLIC ACID MONOMETHYL ESTER
【CAS】
【MDL】
MFCD09952191
【English Synonyms】
【Formula】
C16 H16 N2 O6
【MolWeight】
332.31
【Inchi】
InChI=1S/C16H16N2O6/c1-8-12(15(19)20)14(13(9(2)17-8)16(21)24-3)10-5-4-6-11(7-10)18(22)23/h4-7,14,17H,1-3H3,(H,19,20)/t14-/m1/s1
【InChIKey】
InChIKey=JPXPPUOCSLMCHK-CQSZACIVSA-N
【SMILES】
CC1=C([C@H](C(=C(N1)C)C(=O)OC)c2cccc(c2)[N+](=O)[O-])C(=O)O
【MOL File】
(R)-(-)-1,4-DIHYDRO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(R)-(-)-1,4-DIHYDRO-2,6-DIMETHYL-4-(3-NITROPHENYL)-3,5-PYRIDINEDICARBOXYLIC ACID MONOMETHYL ESTER.cml