CAS RN: 5415-99-6
CAS Name: 4-aminohexanoic acid
OPENEYE Name: 4-aminohexanoic acid
IUPAC Name: 4-aminohexanoic acid
SYSTEMATIC NAME: 4-azanylhexanoic acid
MOLECULAR FORMULA: C6H13NO2
MOLECULAR WEIGHT: 131.17292
SMILES: CCC(CCC(=O)O)N
Structure:
CAS RN: 5411-58-5
CAS Name: 2-(diethylamino)-2-oxoacetic acid ethyl ester
OPENEYE Name: ethyl 2-(diethylamino)-2-oxo-acetate
IUPAC Name: ethyl 2-(diethylamino)-2-oxoacetate
SYSTEMATIC NAME: ethyl 2-(diethylamino)-2-oxidanylidene-ethanoate
MOLECULAR FORMULA: C8H15NO3
MOLECULAR WEIGHT: 173.2096
SMILES: CCN(CC)C(=O)C(=O)OCC
Structure:
CAS RN: 5411-55-2
CAS Name: 2-chloroacetic acid pentyl ester
OPENEYE Name: pentyl 2-chloroacetate
IUPAC Name: pentyl 2-chloroacetate
SYSTEMATIC NAME: pentyl 2-chloranylethanoate
MOLECULAR FORMULA: C7H13ClO2
MOLECULAR WEIGHT: 164.62992
SMILES: CCCCCOC(=O)CCl
Structure:
CAS RN: 5411-50-7
CAS Name: 1,2-dibromo-4-nitrobenzene
OPENEYE Name: 1,2-dibromo-4-nitro-benzene
IUPAC Name: 1,2-dibromo-4-nitrobenzene
SYSTEMATIC NAME: 1,2-bis(bromanyl)-4-nitro-benzene
MOLECULAR FORMULA: C6H3Br2NO2
MOLECULAR WEIGHT: 280.90152
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Br)Br
Structure:
CAS RN: 5408-07-1
CAS Name: 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester
OPENEYE Name: ethyl 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylate
IUPAC Name: ethyl 4-bromo-3,5-dimethyl-1H-pyrrole-2-carboxylate
SYSTEMATIC NAME: ethyl 4-bromanyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C9H12BrNO2
MOLECULAR WEIGHT: 246.10108
SMILES: CCOC(=O)C1=C(C(=C(N1)C)Br)C
Structure:
CAS RN: 5398-75-4
CAS Name: 1-methyl-7-propan-2-ylphenanthrene-9,10-dione
OPENEYE Name: 7-isopropyl-1-methyl-phenanthrene-9,10-dione
IUPAC Name: 1-methyl-7-propan-2-ylphenanthrene-9,10-dione
SYSTEMATIC NAME: 1-methyl-7-propan-2-yl-phenanthrene-9,10-dione
MOLECULAR FORMULA: C18H16O2
MOLECULAR WEIGHT: 264.31844
SMILES: CC1=CC=CC2=C1C(=O)C(=O)C3=C2C=CC(=C3)C(C)C
Structure:
CAS RN: 5397-67-1
CAS Name: 1,2,3,5,6,7-hexahydropyrazolo[1,2-a]pyrazole
OPENEYE Name: 1,2,3,5,6,7-hexahydropyrazolo[1,2-a]pyrazole
IUPAC Name: 1,2,3,5,6,7-hexahydropyrazolo[1,2-a]pyrazole
SYSTEMATIC NAME: 1,2,3,5,6,7-hexahydropyrazolo[1,2-a]pyrazole
MOLECULAR FORMULA: C6H12N2
MOLECULAR WEIGHT: 112.17288
SMILES: C1CN2CCCN2C1
Structure:
CAS RN: 5385-36-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H16
MOLECULAR WEIGHT: 208.29824
SMILES: C1CC2=CC(=CC=C2)CCC3=CC=C1C=C3
Structure:
CAS RN: 5385-26-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H12
MOLECULAR WEIGHT: 300.35208
SMILES: C1=CC=C2C#CC3=CC=CC=C3C#CC4=CC=CC=C4C#CC2=C1
Structure:
CAS RN: 5384-03-2
CAS Name: 1-(5-bromo-2-hydroxy-3,4-dimethylphenyl)-1-propanone
OPENEYE Name: 1-(5-bromo-2-hydroxy-3,4-dimethyl-phenyl)propan-1-one
IUPAC Name: 1-(5-bromo-2-hydroxy-3,4-dimethylphenyl)propan-1-one
SYSTEMATIC NAME: 1-(5-bromanyl-3,4-dimethyl-2-oxidanyl-phenyl)propan-1-one
MOLECULAR FORMULA: C11H13BrO2
MOLECULAR WEIGHT: 257.12372
SMILES: CCC(=O)C1=CC(=C(C(=C1O)C)C)Br
Structure:
CAS RN: 5381-92-0
CAS Name: 1,3-diphenyl-2-propanol
OPENEYE Name: 1,3-diphenylpropan-2-ol
IUPAC Name: 1,3-diphenylpropan-2-ol
SYSTEMATIC NAME: 1,3-diphenylpropan-2-ol
MOLECULAR FORMULA: C15H16O
MOLECULAR WEIGHT: 212.28694
SMILES: C1=CC=C(C=C1)CC(CC2=CC=CC=C2)O
Structure:
CAS RN: 5378-32-5
CAS Name: 2-(3-fluorophenyl)-1,3,4-oxadiazole
OPENEYE Name: 2-(3-fluorophenyl)-1,3,4-oxadiazole
IUPAC Name: 2-(3-fluorophenyl)-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(3-fluorophenyl)-1,3,4-oxadiazole
MOLECULAR FORMULA: C8H5FN2O
MOLECULAR WEIGHT: 164.136503
SMILES: C1=CC(=CC(=C1)F)C2=NN=CO2
Structure:
CAS RN: 5378-31-4
CAS Name: 2-(3-butoxyphenyl)-1,3,4-oxadiazole
OPENEYE Name: 2-(3-butoxyphenyl)-1,3,4-oxadiazole
IUPAC Name: 2-(3-butoxyphenyl)-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(3-butoxyphenyl)-1,3,4-oxadiazole
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 218.25176
SMILES: CCCCOC1=CC=CC(=C1)C2=NN=CO2
Structure:
CAS RN: 5376-15-8
CAS Name: 5-methoxy-2H-tetrazole
OPENEYE Name: 5-methoxy-2H-tetrazole
IUPAC Name: 5-methoxy-2H-tetrazole
SYSTEMATIC NAME: 5-methoxy-2H-1,2,3,4-tetrazole
MOLECULAR FORMULA: C2H4N4O
MOLECULAR WEIGHT: 100.07936
SMILES: COC1=NNN=N1
Structure:
CAS RN: 5369-25-5
CAS Name: N-(3,5-dimethylphenyl)-3,5-dimethylaniline
OPENEYE Name: N-(3,5-dimethylphenyl)-3,5-dimethyl-aniline
IUPAC Name: N-(3,5-dimethylphenyl)-3,5-dimethylaniline
SYSTEMATIC NAME: N-(3,5-dimethylphenyl)-3,5-dimethyl-aniline
MOLECULAR FORMULA: C16H19N
MOLECULAR WEIGHT: 225.32876
SMILES: CC1=CC(=CC(=C1)NC2=CC(=CC(=C2)C)C)C
Structure:
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