880475-00-3
2(1H)-ISOQUINOLINECARBOXYLIC ACID, 6,7-BIS[(ETHOXYCARBONYL)OXY]-3,4-DIHYDRO-1-[(4-NITROPHENYL)METHYL]-, 9H-FLUOREN-9-YLMETHYL ESTER
Name2(1H)-ISOQUINOLINECARBOXYLIC ACID, 6,7-BIS[(ETHOXYCARBONYL)OXY]-3,4-DIHYDRO-1-[(4-NITROPHENYL)METHYL]-, 9H-FLUOREN-9-YLMETHYL ESTER
1Identification
【Name】
2(1H)-ISOQUINOLINECARBOXYLIC ACID, 6,7-BIS[(ETHOXYCARBONYL)OXY]-3,4-DIHYDRO-1-[(4-NITROPHENYL)METHYL]-, 9H-FLUOREN-9-YLMETHYL ESTER
【CAS】
【MDL】
MFCD17018483
【English Synonyms】
【Formula】
C37 H34 N2 O10
【MolWeight】
666.68
【Inchi】
InChI=1S/C37H34N2O10/c1-3-45-36(41)48-33-20-24-17-18-38(35(40)47-22-31-28-11-7-5-9-26(28)27-10-6-8-12-29(27)31)32(19-23-13-15-25(16-14-23)39(43)44)30(24)21-34(33)49-37(42)46-4-2/h5-16,20-21,31-32H,3-4,17-19,22H2,1-2H3
【InChIKey】
InChIKey=HLMJLQYGBIOQIK-UHFFFAOYSA-N
【SMILES】
CCOC(=O)Oc1cc2c(cc1OC(=O)OCC)C(N(CC2)C(=O)OCC3c4ccccc4-c5c3cccc5)Cc6ccc(cc6)[N+](=O)[O-]
【MOL File】
2(1H)-ISOQUINOLINECA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:12
XLogP3:8.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2(1H)-ISOQUINOLINECARBOXYLIC ACID, 6,7-BIS[(ETHOXYCARBONYL)OXY]-3,4-DIHYDRO-1-[(4-NITROPHENYL)METHYL]-, 9H-FLUOREN-9-YLMETHYL ESTER.cml