863311-15-3
3,4-FURANDICARBOXYLIC ACID, 2-[(1,1-DIMETHYLETHYL)AMINO]-5-(4-NITROPHENYL)-, 3,4-DIMETHYL ESTER
Name3,4-FURANDICARBOXYLIC ACID, 2-[(1,1-DIMETHYLETHYL)AMINO]-5-(4-NITROPHENYL)-, 3,4-DIMETHYL ESTER
1Identification
【Name】
3,4-FURANDICARBOXYLIC ACID, 2-[(1,1-DIMETHYLETHYL)AMINO]-5-(4-NITROPHENYL)-, 3,4-DIMETHYL ESTER
【CAS】
【MDL】
MFCD16878531
【English Synonyms】
【Formula】
C18 H24 N2 O7
【MolWeight】
380.395
【Inchi】
InChI=1S/C18H24N2O7/c1-16(2,3)19-13-18(5,15(23)24)17(4,14(21)22)12(27-13)10-6-8-11(9-7-10)20(25)26/h6-9,12-13,19H,1-5H3,(H,21,22)(H,23,24)
【InChIKey】
InChIKey=HYHZBCNPKINUKH-UHFFFAOYSA-N
【SMILES】
CC1(C(OC(C1(C)C(=O)O)NC(C)(C)C)c2ccc(cc2)[N+](=O)[O-])C(=O)O
【MOL File】
3,4-FURANDICARBOXYLI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:9
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,4-FURANDICARBOXYLIC ACID, 2-[(1,1-DIMETHYLETHYL)AMINO]-5-(4-NITROPHENYL)-, 3,4-DIMETHYL ESTER.cml