49744-25-4
1-ETHYL-1,2-DIHYDRO-6-HYDROXY-4-METHYL-5-[(2-NITROPHENYL)AZO]-2-OXONICOTINONITRILE
Name1-ETHYL-1,2-DIHYDRO-6-HYDROXY-4-METHYL-5-[(2-NITROPHENYL)AZO]-2-OXONICOTINONITRILE
1Identification
【Name】
1-ETHYL-1,2-DIHYDRO-6-HYDROXY-4-METHYL-5-[(2-NITROPHENYL)AZO]-2-OXONICOTINONITRILE
【CAS】
【MDL】
MFCD02068879
【English Synonyms】
【Formula】
C15 H13 N5 O4
【MolWeight】
327.299
【Inchi】
InChI=1S/C15H13N5O4/c1-3-19-14(21)10(8-16)9(2)13(15(19)22)18-17-11-6-4-5-7-12(11)20(23)24/h4-7,22H,3H2,1-2H3/b18-17+
【InChIKey】
InChIKey=PIXVCSDTGBDWNM-ISLYRVAYSA-N
【SMILES】
CCn1c(c(c(c(c1=O)C#N)C)/N=N/c2ccccc2[N+](=O)[O-])O
【MOL File】
1-ETHYL-1,2-DIHYDRO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:9
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-ETHYL-1,2-DIHYDRO-6-HYDROXY-4-METHYL-5-[(2-NITROPHENYL)AZO]-2-OXONICOTINONITRILE.cml