55118-86-0
5,5-DIMETHYL-2-(((4-NITROPHENYL)AMINO)METHYLENE)CYCLOHEXANE-1,3-DIONE
Name5,5-DIMETHYL-2-(((4-NITROPHENYL)AMINO)METHYLENE)CYCLOHEXANE-1,3-DIONE
1Identification
【Name】
5,5-DIMETHYL-2-(((4-NITROPHENYL)AMINO)METHYLENE)CYCLOHEXANE-1,3-DIONE
【CAS】
【MDL】
MFCD00129504
【English Synonyms】
【Formula】
C15 H16 N2 O4
【MolWeight】
288.301
【Inchi】
InChI=1S/C15H16N2O4/c1-15(2)7-13(18)12(14(19)8-15)9-16-10-3-5-11(6-4-10)17(20)21/h3-6,9,16H,7-8H2,1-2H3
【InChIKey】
InChIKey=KDVDCAVTRCBENQ-UHFFFAOYSA-N
【SMILES】
CC1(CC(=O)C(=CNc2ccc(cc2)[N+](=O)[O-])C(=O)C1)C
【MOL File】
5,5-DIMETHYL-2-(((4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5,5-DIMETHYL-2-(((4-NITROPHENYL)AMINO)METHYLENE)CYCLOHEXANE-1,3-DIONE.cml