23807-28-5
N-[2-[(2-CHLORO-4,6-DINITROPHENYL)AZO]-5-[(2-CYANOETHYL)(2-HYDROXYETHYL)AMINO]-4-METHOXYPHENYL]ACETAMIDE
NameN-[2-[(2-CHLORO-4,6-DINITROPHENYL)AZO]-5-[(2-CYANOETHYL)(2-HYDROXYETHYL)AMINO]-4-METHOXYPHENYL]ACETAMIDE
1Identification
【Name】
N-[2-[(2-CHLORO-4,6-DINITROPHENYL)AZO]-5-[(2-CYANOETHYL)(2-HYDROXYETHYL)AMINO]-4-METHOXYPHENYL]ACETAMIDE
【CAS】
【MDL】
MFCD00161109
【English Synonyms】
【Formula】
C20 H20 Cl N7 O7
【MolWeight】
505.873
【Inchi】
InChI=1S/C20H20ClN7O7/c1-12(30)23-15-10-17(26(6-7-29)5-3-4-22)19(35-2)11-16(15)24-25-20-14(21)8-13(27(31)32)9-18(20)28(33)34/h8-11,29H,3,5-7H2,1-2H3,(H,23,30)/b25-24+
【InChIKey】
InChIKey=WECQKZZOBBSHPK-OCOZRVBESA-N
【SMILES】
CC(=O)Nc1cc(c(cc1/N=N/c2c(cc(cc2Cl)[N+](=O)[O-])[N+](=O)[O-])OC)N(CCC#N)CCO
【MOL File】
N-[2-[(2-CHLORO-4,6-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:14
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[2-[(2-CHLORO-4,6-DINITROPHENYL)AZO]-5-[(2-CYANOETHYL)(2-HYDROXYETHYL)AMINO]-4-METHOXYPHENYL]ACETAMIDE.cml