767335-79-5
5-(BENZOYLOXY)-2-(2-((4-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL BENZOATE
Name5-(BENZOYLOXY)-2-(2-((4-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL BENZOATE
1Identification
【Name】
5-(BENZOYLOXY)-2-(2-((4-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL BENZOATE
【CAS】
【MDL】
MFCD05154320
【English Synonyms】
【Formula】
C30 H23 N3 O7
【MolWeight】
537.526
【Inchi】
InChI=1S/C30H23N3O7/c1-38-24-16-13-23(14-17-24)32-27(34)28(35)33-31-19-22-12-15-25(39-29(36)20-8-4-2-5-9-20)18-26(22)40-30(37)21-10-6-3-7-11-21/h2-19H,1H3,(H,32,34)(H,33,35)/b31-19+
【InChIKey】
InChIKey=QRJXPGPHWLNEPP-ZCTHSVRISA-N
【SMILES】
COc1ccc(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:10
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(BENZOYLOXY)-2-(2-((4-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)PHENYL BENZOATE.cml