90124-96-2
N-(1-((3,4-DIMETHYLANILINO)CARBONYL)-2-(3-NITROPHENYL)VINYL)-4-METHYLBENZAMIDE
NameN-(1-((3,4-DIMETHYLANILINO)CARBONYL)-2-(3-NITROPHENYL)VINYL)-4-METHYLBENZAMIDE
1Identification
【Name】
N-(1-((3,4-DIMETHYLANILINO)CARBONYL)-2-(3-NITROPHENYL)VINYL)-4-METHYLBENZAMIDE
【CAS】
【MDL】
MFCD00571951
【English Synonyms】
【Formula】
C25 H23 N3 O4
【MolWeight】
429.474
【Inchi】
InChI=1S/C25H23N3O4/c1-16-7-10-20(11-8-16)24(29)27-23(15-19-5-4-6-22(14-19)28(31)32)25(30)26-21-12-9-17(2)18(3)13-21/h4-15H,1-3H3,(H,26,30)(H,27,29)/b23-15-
【InChIKey】
InChIKey=XCUCXXGMZJVQHJ-HAHDFKILSA-N
【SMILES】
Cc1ccc(cc1)C(=O)N/C(=C\c2cccc(c2)[N+](=O)[O-])/C(=O)Nc3ccc(c(c3)C)C
【MOL File】
N-(1-((3,4-DIMETHYLA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(1-((3,4-DIMETHYLANILINO)CARBONYL)-2-(3-NITROPHENYL)VINYL)-4-METHYLBENZAMIDE.cml