74149-72-7
METHYL 4-(4-[(4-METHOXYBENZOYL)AMINO]-3-NITROPHENYL)-3-METHYL-4-OXOBUTANOATE
NameMETHYL 4-(4-[(4-METHOXYBENZOYL)AMINO]-3-NITROPHENYL)-3-METHYL-4-OXOBUTANOATE
1Identification
【Name】
METHYL 4-(4-[(4-METHOXYBENZOYL)AMINO]-3-NITROPHENYL)-3-METHYL-4-OXOBUTANOATE
【CAS】
【MDL】
MFCD11501073
【English Synonyms】
【Formula】
C20 H20 N2 O7
【MolWeight】
400.385
【Inchi】
InChI=1S/C20H20N2O7/c1-12(10-18(23)29-3)19(24)14-6-9-16(17(11-14)22(26)27)21-20(25)13-4-7-15(28-2)8-5-13/h4-9,11-12H,10H2,1-3H3,(H,21,25)
【InChIKey】
InChIKey=BVRUHPOPLACNJO-UHFFFAOYSA-N
【SMILES】
CC(CC(=O)OC)C(=O)c1ccc(c(c1)[N+](=O)[O-])NC(=O)c2ccc(cc2)OC
【MOL File】
METHYL 4-(4-[(4-METH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 4-(4-[(4-METHOXYBENZOYL)AMINO]-3-NITROPHENYL)-3-METHYL-4-OXOBUTANOATE.cml