769147-79-7
2-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 3-METHYLBENZOATE
Name2-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 3-METHYLBENZOATE
1Identification
【Name】
2-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 3-METHYLBENZOATE
【CAS】
【MDL】
MFCD05154218
【English Synonyms】
【Formula】
C23 H18 Br N3 O4
【MolWeight】
480.316
【Inchi】
InChI=1S/C23H18BrN3O4/c1-15-6-5-7-16(12-15)23(30)31-20-11-10-18(24)13-17(20)14-25-27-22(29)21(28)26-19-8-3-2-4-9-19/h2-14H,1H3,(H,26,28)(H,27,29)/b25-14+
【InChIKey】
InChIKey=PTEUIVAEUHIJNZ-AFUMVMLFSA-N
【SMILES】
Cc1cccc(c1)C(=O)Oc2ccc(cc2/C=N/NC(=O)C(=O)Nc3ccccc3)Br
【MOL File】
2-(2-(ANILINO(OXO)AC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-(ANILINO(OXO)ACETYL)CARBOHYDRAZONOYL)-4-BROMOPHENYL 3-METHYLBENZOATE.cml