769148-47-2
2-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 3,4-DIMETHOXYBENZOATE
Name2-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 3,4-DIMETHOXYBENZOATE
1Identification
【Name】
2-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 3,4-DIMETHOXYBENZOATE
【CAS】
【MDL】
MFCD05154157
【English Synonyms】
【Formula】
C24 H20 Br N3 O6
【MolWeight】
526.341
【Inchi】
InChI=1S/C24H20BrN3O6/c1-32-20-10-8-15(13-21(20)33-2)24(31)34-19-11-9-17(25)12-16(19)14-26-28-23(30)22(29)27-18-6-4-3-5-7-18/h3-14H,1-2H3,(H,27,29)(H,28,30)/b26-14+
【InChIKey】
InChIKey=HJPOYELRDMJOHX-VULFUBBASA-N
【SMILES】
COc1ccc(cc1OC)C(=O)Oc2ccc(cc2/C=N/NC(=O)C(=O)Nc3ccccc3)Br
【MOL File】
2-(2-(ANILINO(OXO)AC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 3,4-DIMETHOXYBENZOATE.cml