769148-99-4
1-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE
Name1-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE
1Identification
【Name】
1-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE
【CAS】
【MDL】
MFCD05154106
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C26 H20 N2 O5
【pro_molWeight】
440.453
【Inchi】
InChI=1S/C26H20N2O5/c1-16-5-4-7-18(13-16)26(32)33-24-12-9-17-6-2-3-8-20(17)22(24)15-27-28-25(31)21-11-10-19(29)14-23(21)30/h2-15,29-30H,1H3,(H,28,31)/b27-15+
【InChIKey】
InChIKey=NPIQDEKXPAKWQN-JFLMPSFJSA-N
【SMILES】
Cc1cccc(c1)C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c4ccc(cc4O)O
【MOL File】
1-(2-(2,4-DIHYDROXYB….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:3
pro_acceptors:7
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-(2-(2,4-DIHYDROXYBENZOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 3-METHYLBENZOATE.cml