769147-70-8
4-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE
Name4-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE
1Identification
【Name】
4-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE
【CAS】
【MDL】
MFCD05154245
【English Synonyms】
【Formula】
C25 H23 N3 O5
【MolWeight】
445.473
【Inchi】
InChI=1S/C25H23N3O5/c1-3-32-21-14-8-19(9-15-21)25(31)33-22-12-6-18(7-13-22)16-26-28-24(30)23(29)27-20-10-4-17(2)5-11-20/h4-16H,3H2,1-2H3,(H,27,29)(H,28,30)/b26-16+
【InChIKey】
InChIKey=JZMWNWYXKDYLJE-WGOQTCKBSA-N
【SMILES】
CCOc1ccc(cc1)C(=O)Oc2ccc(cc2)/C=N/NC(=O)C(=O)Nc3ccc(cc3)C
【MOL File】
4-(2-(OXO(4-TOLUIDIN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-ETHOXYBENZOATE.cml