476483-57-5
2-AMINO-1-(3-CHLORO-2-METHYLPHENYL)-7,7-DIMETHYL-4-(4-NITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
Name2-AMINO-1-(3-CHLORO-2-METHYLPHENYL)-7,7-DIMETHYL-4-(4-NITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
1Identification
【Name】
2-AMINO-1-(3-CHLORO-2-METHYLPHENYL)-7,7-DIMETHYL-4-(4-NITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE
【CAS】
【MDL】
MFCD01233655
【English Synonyms】
【Formula】
C25 H23 Cl N4 O3
【MolWeight】
462.935
【Inchi】
InChI=1S/C25H23ClN4O3/c1-14-18(26)5-4-6-19(14)29-20-11-25(2,3)12-21(31)23(20)22(17(13-27)24(29)28)15-7-9-16(10-8-15)30(32)33/h4-10,22H,11-12,28H2,1-3H3
【InChIKey】
InChIKey=CGUWKVPQKPWMML-UHFFFAOYSA-N
【SMILES】
Cc1c(cccc1Cl)N2C3=C(C(C(=C2N)C#N)c4ccc(cc4)[N+](=O)[O-])C(=O)CC(C3)(C)C
【MOL File】
2-AMINO-1-(3-CHLORO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-AMINO-1-(3-CHLORO-2-METHYLPHENYL)-7,7-DIMETHYL-4-(4-NITROPHENYL)-5-OXO-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBONITRILE.cml