194282-74-1
2-AMINO-7-METHYL-4-(4-METHYLPHENYL)-5-OXO-4H,5H-PYRANO[4,3-B]PYRAN-3-CARBONITRILE
Name2-AMINO-7-METHYL-4-(4-METHYLPHENYL)-5-OXO-4H,5H-PYRANO[4,3-B]PYRAN-3-CARBONITRILE
1Identification
【Name】
2-AMINO-7-METHYL-4-(4-METHYLPHENYL)-5-OXO-4H,5H-PYRANO[4,3-B]PYRAN-3-CARBONITRILE
【CAS】
【MDL】
MFCD00565024
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H14 N2 O3
【pro_molWeight】
294.309
【Inchi】
InChI=1S/C17H14N2O3/c1-9-3-5-11(6-4-9)14-12(8-18)16(19)22-13-7-10(2)21-17(20)15(13)14/h3-7,14H,19H2,1-2H3
【InChIKey】
InChIKey=AIVRDDXFJPHMMT-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)C2c3c(cc(oc3=O)C)OC(=C2C#N)N
【MOL File】
2-AMINO-7-METHYL-4-(….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-AMINO-7-METHYL-4-(4-METHYLPHENYL)-5-OXO-4H,5H-PYRANO[4,3-B]PYRAN-3-CARBONITRILE.cml