162828-18-4
3-PYRIDINECARBOXYLIC ACID, 5-CYANO-2,6-DIMETHYL-4-(2-NITROPHENYL)-, ME THYL ESTER
Name
3-PYRIDINECARBOXYLIC ACID, 5-CYANO-2,6-DIMETHYL-4-(2-NITROPHENYL)-, ME THYL ESTER
Formula
C16 H13 N3 O4
MolWeight
311.296
1Identification
【Name】
3-PYRIDINECARBOXYLIC ACID, 5-CYANO-2,6-DIMETHYL-4-(2-NITROPHENYL)-, ME THYL ESTER
【CAS】
【MDL】
MFCD01758530
【English Synonyms】
【Formula】
C16 H13 N3 O4
【MolWeight】
311.296
【Inchi】
InChI=1S/C16H13N3O4/c1-9-12(8-17)15(14(10(2)18-9)16(20)23-3)11-6-4-5-7-13(11)19(21)22/h4-7H,1-3H3
【InChIKey】
InChIKey=SRBZUTFGDOFIEM-UHFFFAOYSA-N
【SMILES】
Cc1c(c(c(c(n1)C)C(=O)OC)c2ccccc2[N+](=O)[O-])C#N
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-PYRIDINECARBOXYLIC ACID, 5-CYANO-2,6-DIMETHYL-4-(2-NITROPHENYL)-, ME THYL ESTER.cml
Quick Release
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2,3,5-TRIFLUOROISONICOTINIC ACID
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