594844-71-0
3-[(DIMETHYLAMINO)CARBONYL]-4-NITROBENZENEACETIC ACID METHYL ESTER
Name3-[(DIMETHYLAMINO)CARBONYL]-4-NITROBENZENEACETIC ACID METHYL ESTER
1Identification
【Name】
3-[(DIMETHYLAMINO)CARBONYL]-4-NITROBENZENEACETIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD20487994
【English Synonyms】
【Formula】
C12 H14 N2 O5
【MolWeight】
266.252
【Inchi】
InChI=1S/C12H14N2O5/c1-13(2)12(16)9-6-8(7-11(15)19-3)4-5-10(9)14(17)18/h4-6H,7H2,1-3H3
【InChIKey】
InChIKey=VWMQLMBLNNEINH-UHFFFAOYSA-N
【SMILES】
CN(C)C(=O)c1cc(ccc1[N+](=O)[O-])CC(=O)OC
【MOL File】
3-[(DIMETHYLAMINO)CA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[(DIMETHYLAMINO)CARBONYL]-4-NITROBENZENEACETIC ACID METHYL ESTER.cml