769148-53-0
5-(BENZOYLOXY)-2-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
Name5-(BENZOYLOXY)-2-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
1Identification
【Name】
5-(BENZOYLOXY)-2-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE
【CAS】
【MDL】
MFCD05154149
【English Synonyms】
【Formula】
C30 H23 N3 O6
【MolWeight】
521.527
【Inchi】
InChI=1S/C30H23N3O6/c1-20-12-15-24(16-13-20)32-27(34)28(35)33-31-19-23-14-17-25(38-29(36)21-8-4-2-5-9-21)18-26(23)39-30(37)22-10-6-3-7-11-22/h2-19H,1H3,(H,32,34)(H,33,35)/b31-19+
【InChIKey】
InChIKey=GRCDWYNVJARENT-ZCTHSVRISA-N
【SMILES】
Cc1ccc(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-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL BENZOATE.cml