611225-63-9
2-PYRIDINECARBOXYLIC ACID, 4-[4-(METHYLAMINO)-3-NITROPHENOXY]-, 1,1-DIMETHYLETHYL ESTER
Name
2-PYRIDINECARBOXYLIC ACID, 4-[4-(METHYLAMINO)-3-NITROPHENOXY]-, 1,1-DIMETHYLETHYL ESTER
Formula
C17 H19 N3 O5
MolWeight
345.353
1Identification
【Name】
2-PYRIDINECARBOXYLIC ACID, 4-[4-(METHYLAMINO)-3-NITROPHENOXY]-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD10567178
【English Synonyms】
【Formula】
C17 H19 N3 O5
【MolWeight】
345.353
【Inchi】
InChI=1S/C17H19N3O5/c1-17(2,3)25-16(21)14-9-12(7-8-19-14)24-11-5-6-13(18-4)15(10-11)20(22)23/h5-10,18H,1-4H3
【InChIKey】
InChIKey=GSISGLUKVBMUJB-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)c1cc(ccn1)Oc2ccc(c(c2)[N+](=O)[O-])NC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-PYRIDINECARBOXYLIC ACID, 4-[4-(METHYLAMINO)-3-NITROPHENOXY]-, 1,1-DIMETHYLETHYL ESTER.cml
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