769148-61-0
5-(BENZOYLOXY)-2-(2-((4-ETHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL BENZOATE
Name5-(BENZOYLOXY)-2-(2-((4-ETHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL BENZOATE
1Identification
【Name】
5-(BENZOYLOXY)-2-(2-((4-ETHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL BENZOATE
【CAS】
【MDL】
MFCD05154140
【English Synonyms】
【Formula】
C31 H25 N3 O6
【MolWeight】
535.554
【Inchi】
InChI=1S/C31H25N3O6/c1-2-21-13-16-25(17-14-21)33-28(35)29(36)34-32-20-24-15-18-26(39-30(37)22-9-5-3-6-10-22)19-27(24)40-31(38)23-11-7-4-8-12-23/h3-20H,2H2,1H3,(H,33,35)(H,34,36)/b32-20+
【InChIKey】
InChIKey=IMCDRXJLRRHKKC-UZWMFBFFSA-N
【SMILES】
CCc1ccc(cc1)NC(=O)C(=O)N/N=C/c2ccc(cc2OC(=O)c3ccccc3)OC(=O)c4ccccc4
【MOL File】
5-(BENZOYLOXY)-2-(2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:9
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(BENZOYLOXY)-2-(2-((4-ETHYLANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL BENZOATE.cml