945367-20-4
2-([2-(5-METHOXY-1H-INDOL-3-YL)ETHYL]AMINO)-5-NITROBENZONITRILE
Name2-([2-(5-METHOXY-1H-INDOL-3-YL)ETHYL]AMINO)-5-NITROBENZONITRILE
1Identification
【Name】
2-([2-(5-METHOXY-1H-INDOL-3-YL)ETHYL]AMINO)-5-NITROBENZONITRILE
【CAS】
【MDL】
MFCD09455396
【English Synonyms】
【Formula】
C18 H16 N4 O3
【MolWeight】
336.349
【Inchi】
InChI=1S/C18H16N4O3/c1-25-15-3-5-18-16(9-15)12(11-21-18)6-7-20-17-4-2-14(22(23)24)8-13(17)10-19/h2-5,8-9,11,20-21H,6-7H2,1H3
【InChIKey】
InChIKey=LRELYKOZMSLPAJ-UHFFFAOYSA-N
【SMILES】
COc1ccc2c(c1)c(c[nH]2)CCNc3ccc(cc3C#N)[N+](=O)[O-]
【MOL File】
2-([2-(5-METHOXY-1H-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-([2-(5-METHOXY-1H-INDOL-3-YL)ETHYL]AMINO)-5-NITROBENZONITRILE.cml