769148-59-6
4-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-PHENYLACRYLATE
Name4-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-PHENYLACRYLATE
1Identification
【Name】
4-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-PHENYLACRYLATE
【CAS】
【MDL】
MFCD05154143
【English Synonyms】
【Formula】
C25 H21 N3 O5
【MolWeight】
443.457
【Inchi】
InChI=1S/C25H21N3O5/c1-32-22-16-19(17-26-28-25(31)24(30)27-20-10-6-3-7-11-20)12-14-21(22)33-23(29)15-13-18-8-4-2-5-9-18/h2-17H,1H3,(H,27,30)(H,28,31)/b15-13+,26-17+
【InChIKey】
InChIKey=DCGSTBQGLPNWRR-AROWNJAOSA-N
【SMILES】
COc1cc(ccc1OC(=O)/C=C/c2ccccc2)/C=N/NC(=O)C(=O)Nc3ccccc3
【MOL File】
4-(2-(ANILINO(OXO)AC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-2-METHOXYPHENYL 3-PHENYLACRYLATE.cml