769148-18-7
2-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE
Name2-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE
1Identification
【Name】
2-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05154192
【English Synonyms】
【Formula】
C23 H18 Br N3 O5
【MolWeight】
496.315
【Inchi】
InChI=1S/C23H18BrN3O5/c1-31-19-10-7-15(8-11-19)23(30)32-20-12-9-17(24)13-16(20)14-25-27-22(29)21(28)26-18-5-3-2-4-6-18/h2-14H,1H3,(H,26,28)(H,27,29)/b25-14+
【InChIKey】
InChIKey=ATIVPASJDSLYDP-AFUMVMLFSA-N
【SMILES】
COc1ccc(cc1)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:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 4-METHOXYBENZOATE.cml