219553-55-6
5-ACETYL-2,6-DIMETHYL-4-(4-NITROPHENYL)-1,4-DIHYDRO-3-PYRIDINECARBOXYLIC ACID
Name5-ACETYL-2,6-DIMETHYL-4-(4-NITROPHENYL)-1,4-DIHYDRO-3-PYRIDINECARBOXYLIC ACID
1Identification
【Name】
5-ACETYL-2,6-DIMETHYL-4-(4-NITROPHENYL)-1,4-DIHYDRO-3-PYRIDINECARBOXYLIC ACID
【CAS】
【MDL】
MFCD02571463
【English Synonyms】
【Formula】
C16 H16 N2 O5
【MolWeight】
316.311
【Inchi】
InChI=1S/C16H16N2O5/c1-8-13(10(3)19)15(14(16(20)21)9(2)17-8)11-4-6-12(7-5-11)18(22)23/h4-7,15,17H,1-3H3,(H,20,21)
【InChIKey】
InChIKey=QIIHVPCLWJLLFI-UHFFFAOYSA-N
【SMILES】
CC1=C(C(C(=C(N1)C)C(=O)O)c2ccc(cc2)[N+](=O)[O-])C(=O)C
【MOL File】
5-ACETYL-2,6-DIMETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-ACETYL-2,6-DIMETHYL-4-(4-NITROPHENYL)-1,4-DIHYDRO-3-PYRIDINECARBOXYLIC ACID.cml