769147-30-0
1-(2-((3-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHYLBENZOATE
Name1-(2-((3-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHYLBENZOATE
1Identification
【Name】
1-(2-((3-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHYLBENZOATE
【CAS】
【MDL】
MFCD05154266
【English Synonyms】
【Formula】
C28 H23 N3 O5
【MolWeight】
481.506
【Inchi】
InChI=1S/C28H23N3O5/c1-18-10-12-20(13-11-18)28(34)36-25-15-14-19-6-3-4-9-23(19)24(25)17-29-31-27(33)26(32)30-21-7-5-8-22(16-21)35-2/h3-17H,1-2H3,(H,30,32)(H,31,33)/b29-17+
【InChIKey】
InChIKey=NHDCGHBTFOTCHK-STBIYBPSSA-N
【SMILES】
Cc1ccc(cc1)C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc4cccc(c4)OC
【MOL File】
1-(2-((3-METHOXYANIL….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
1-(2-((3-METHOXYANILINO)(OXO)AC)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHYLBENZOATE.cml