578699-23-7
1-[[(3,4-DIHYDRO-1(2H)-QUINOLINYL)IMINO]METHYL]-6,7,8,9-TETRAHYDRO-3-NITRO-2-DIBENZOFURANOL
Name1-[[(3,4-DIHYDRO-1(2H)-QUINOLINYL)IMINO]METHYL]-6,7,8,9-TETRAHYDRO-3-NITRO-2-DIBENZOFURANOL
1Identification
【Name】
1-[[(3,4-DIHYDRO-1(2H)-QUINOLINYL)IMINO]METHYL]-6,7,8,9-TETRAHYDRO-3-NITRO-2-DIBENZOFURANOL
【CAS】
【MDL】
MFCD04029172
【English Synonyms】
【Formula】
C22 H21 N3 O4
【MolWeight】
391.425
【Inchi】
InChI=1S/C22H21N3O4/c26-22-16(13-23-24-11-5-7-14-6-1-3-9-17(14)24)21-15-8-2-4-10-19(15)29-20(21)12-18(22)25(27)28/h1,3,6,9,12-13,26H,2,4-5,7-8,10-11H2/b23-13+
【InChIKey】
InChIKey=XCTMSMVFYDPFHB-YDZHTSKRSA-N
【SMILES】
c1ccc2c(c1)CCCN2/N=C/c3c4c(cc(c3O)[N+](=O)[O-])oc5c4CCCC5
【MOL File】
1-[[(3,4-DIHYDRO-1(2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[[(3,4-DIHYDRO-1(2H)-QUINOLINYL)IMINO]METHYL]-6,7,8,9-TETRAHYDRO-3-NITRO-2-DIBENZOFURANOL.cml