625376-14-9
SPIRO 4-[2-AMINO-6-(HYDROXYMETHYL)-8-OXO-4,8-DIHYDROPYRANO[3,2-6]PYRAN-3-CARBONITRILE]-3''-[1',3'-DIHYDRO-5'-NITRO-2H-INDOL-2'-ONE]
NameSPIRO 4-[2-AMINO-6-(HYDROXYMETHYL)-8-OXO-4,8-DIHYDROPYRANO[3,2-6]PYRAN-3-CARBONITRILE]-3''-[1',3'-DIHYDRO-5'-NITRO-2H-INDOL-2'-ONE]
1Identification
【Name】
SPIRO 4-[2-AMINO-6-(HYDROXYMETHYL)-8-OXO-4,8-DIHYDROPYRANO[3,2-6]PYRAN-3-CARBONITRILE]-3''-[1',3'-DIHYDRO-5'-NITRO-2H-INDOL-2'-ONE]
【CAS】
【MDL】
MFCD03730789
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H10 N4 O7
【pro_molWeight】
382.287
【Inchi】
InChI=1S/C17H10N4O7/c18-5-10-15(19)28-13-12(23)4-8(6-22)27-14(13)17(10)9-3-7(21(25)26)1-2-11(9)20-16(17)24/h1-4,22H,6,19H2,(H,20,24)
【InChIKey】
InChIKey=DMLYUPPXVIRORR-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1[N+](=O)[O-])C3(c4c(c(=O)cc(o4)CO)OC(=C3C#N)N)C(=O)N2
【MOL File】
SPIRO 4-[2-AMINO-6-(….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:11
XLogP3:-3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
SPIRO 4-[2-AMINO-6-(HYDROXYMETHYL)-8-OXO-4,8-DIHYDROPYRANO[3,2-6]PYRAN-3-CARBONITRILE]-3''-[1',3'-DIHYDRO-5'-NITRO-2H-INDOL-2'-ONE].cml