413609-92-4
4-METHYL-N-(1-(4-MORPHOLINYLCARBONYL)-2-(3-NITROPHENYL)VINYL)BENZAMIDE
Name4-METHYL-N-(1-(4-MORPHOLINYLCARBONYL)-2-(3-NITROPHENYL)VINYL)BENZAMIDE
1Identification
【Name】
4-METHYL-N-(1-(4-MORPHOLINYLCARBONYL)-2-(3-NITROPHENYL)VINYL)BENZAMIDE
【CAS】
【MDL】
MFCD00335675
【English Synonyms】
【Formula】
C21 H21 N3 O5
【MolWeight】
395.413
【Inchi】
InChI=1S/C21H21N3O5/c1-15-5-7-17(8-6-15)20(25)22-19(21(26)23-9-11-29-12-10-23)14-16-3-2-4-18(13-16)24(27)28/h2-8,13-14H,9-12H2,1H3,(H,22,25)/b19-14-
【InChIKey】
InChIKey=DQPGHDXZEFZQPN-RGEXLXHISA-N
【SMILES】
Cc1ccc(cc1)C(=O)N/C(=C\c2cccc(c2)[N+](=O)[O-])/C(=O)N3CCOCC3
【MOL File】
4-METHYL-N-(1-(4-MOR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-METHYL-N-(1-(4-MORPHOLINYLCARBONYL)-2-(3-NITROPHENYL)VINYL)BENZAMIDE.cml