126653-41-6
3-(3,4-DIHYDROXY-5-NITROPHENYL)BENZO(G)QUINOXALIN-2(1H)-ONE
Name3-(3,4-DIHYDROXY-5-NITROPHENYL)BENZO(G)QUINOXALIN-2(1H)-ONE
1Identification
【Name】
3-(3,4-DIHYDROXY-5-NITROPHENYL)BENZO(G)QUINOXALIN-2(1H)-ONE
【CAS】
【MDL】
MFCD01663096
【English Synonyms】
【Formula】
C18 H11 N3 O5
【MolWeight】
349.301
【Inchi】
InChI=1S/C18H11N3O5/c22-15-8-11(7-14(17(15)23)21(25)26)16-18(24)20-13-6-10-4-2-1-3-9(10)5-12(13)19-16/h1-8,22-23H,(H,20,24)
【InChIKey】
InChIKey=MFSFAPHCRNJGRS-UHFFFAOYSA-N
【SMILES】
c1ccc2cc3c(cc2c1)[nH]c(=O)c(n3)c4cc(c(c(c4)O)O)[N+](=O)[O-]
【MOL File】
3-(3,4-DIHYDROXY-5-N….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(3,4-DIHYDROXY-5-NITROPHENYL)BENZO(G)QUINOXALIN-2(1H)-ONE.cml