765276-31-1
2-METHOXY-4-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHYLBENZOATE
Name2-METHOXY-4-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHYLBENZOATE
1Identification
【Name】
2-METHOXY-4-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHYLBENZOATE
【CAS】
【MDL】
MFCD03885323
【English Synonyms】
【Formula】
C25 H23 N3 O5
【MolWeight】
445.473
【Inchi】
InChI=1S/C25H23N3O5/c1-16-4-9-19(10-5-16)25(31)33-21-13-8-18(14-22(21)32-3)15-26-28-24(30)23(29)27-20-11-6-17(2)7-12-20/h4-15H,1-3H3,(H,27,29)(H,28,30)/b26-15+
【InChIKey】
InChIKey=GBGGPGQDZOUKCO-CVKSISIWSA-N
【SMILES】
Cc1ccc(cc1)C(=O)Oc2ccc(cc2OC)/C=N/NC(=O)C(=O)Nc3ccc(cc3)C
【MOL File】
2-METHOXY-4-(2-(OXO(….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
2-METHOXY-4-(2-(OXO(4-TOLUIDINO)ACETYL)CARBOHYDRAZONOYL)PHENYL 4-METHYLBENZOATE.cml