769147-73-1
4-BR-2-(2-((4-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
Name4-BR-2-(2-((4-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
1Identification
【Name】
4-BR-2-(2-((4-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
【CAS】
【MDL】
MFCD05154243
【English Synonyms】
【Formula】
C24 H20 Br N3 O5
【MolWeight】
510.342
【Inchi】
InChI=1S/C24H20BrN3O5/c1-15-4-3-5-16(12-15)24(31)33-21-11-6-18(25)13-17(21)14-26-28-23(30)22(29)27-19-7-9-20(32-2)10-8-19/h3-14H,1-2H3,(H,27,29)(H,28,30)/b26-14+
【InChIKey】
InChIKey=IPWJBBWQTNDAIW-VULFUBBASA-N
【SMILES】
Cc1cccc(c1)C(=O)Oc2ccc(cc2/C=N/NC(=O)C(=O)Nc3ccc(cc3)OC)Br
【MOL File】
4-BR-2-(2-((4-METHOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BR-2-(2-((4-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE.cml