769154-14-5
4-(2-((2-NITROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
Name4-(2-((2-NITROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
1Identification
【Name】
4-(2-((2-NITROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE
【CAS】
【MDL】
MFCD05153350
【English Synonyms】
【Formula】
C23 H19 N3 O6
【MolWeight】
433.418
【Inchi】
InChI=1S/C23H19N3O6/c1-16-5-4-6-18(13-16)23(28)32-19-11-9-17(10-12-19)14-24-25-22(27)15-31-21-8-3-2-7-20(21)26(29)30/h2-14H,15H2,1H3,(H,25,27)/b24-14+
【InChIKey】
InChIKey=UMSSXAJMFNXKFL-ZVHZXABRSA-N
【SMILES】
Cc1cccc(c1)C(=O)Oc2ccc(cc2)/C=N/NC(=O)COc3ccccc3[N+](=O)[O-]
【MOL File】
4-(2-((2-NITROPHENOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-((2-NITROPHENOXY)ACETYL)CARBOHYDRAZONOYL)PHENYL 3-METHYLBENZOATE.cml