769142-86-1
1-(2-(2-(4-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-CHLOROBENZOATE
Name1-(2-(2-(4-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-CHLOROBENZOATE
1Identification
【Name】
1-(2-(2-(4-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-CHLOROBENZOATE
【CAS】
【MDL】
MFCD05151961
【English Synonyms】
【Formula】
C27 H20 Cl N3 O6
【MolWeight】
517.923
【Inchi】
InChI=1S/C27H20ClN3O6/c1-17(36-22-13-11-21(12-14-22)31(34)35)26(32)30-29-16-24-23-5-3-2-4-18(23)8-15-25(24)37-27(33)19-6-9-20(28)10-7-19/h2-17H,1H3,(H,30,32)/b29-16+
【InChIKey】
InChIKey=JGUPWBQNDMPHKI-MUFRIFMGSA-N
【SMILES】
CC(C(=O)N/N=C/c1c2ccccc2ccc1OC(=O)c3ccc(cc3)Cl)Oc4ccc(cc4)[N+](=O)[O-]
【MOL File】
1-(2-(2-(4-NITROPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(2-(4-NITROPHENOXY)PROPANOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-CHLOROBENZOATE.cml