CAS RN: 478183-57-2
CAS Name: (2R)-3-(3-chloro-4-hydroxyphenyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid
OPENEYE Name: (2R)-2-(tert-butoxycarbonylamino)-3-(3-chloro-4-hydroxy-phenyl)propanoic acid
IUPAC Name: (2R)-3-(3-chloro-4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
SYSTEMATIC NAME: (2R)-3-(3-chloranyl-4-oxidanyl-phenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
MOLECULAR FORMULA: C14H18ClNO5
MOLECULAR WEIGHT: 315.74942
SMILES: CC(C)(C)OC(=O)N[C@H](CC1=CC(=C(C=C1)O)Cl)C(=O)O
Structure:
CAS RN: 925889-81-2
CAS Name: 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 7-(2-methoxy-2-oxo-ethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
IUPAC Name: tert-butyl 7-(2-methoxy-2-oxoethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 7-(2-methoxy-2-oxidanylidene-ethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
MOLECULAR FORMULA: C16H22N2O4
MOLECULAR WEIGHT: 306.35688
SMILES: CC(C)(C)OC(=O)N1CCCC2=C1N=C(C=C2)CC(=O)OC
Structure:
CAS RN: 364750-81-2
CAS Name: (2S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S,4S)-1-tert-butoxycarbonyl-4-methyl-pyrrolidine-2-carboxylic acid
IUPAC Name: (2S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S,4S)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C11H19NO4
MOLECULAR WEIGHT: 229.27286
SMILES: C[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
Structure:
CAS RN: 204513-62-2
CAS Name: (4-bromo-2-thiazolyl)methanethiol
OPENEYE Name: (4-bromothiazol-2-yl)methanethiol
IUPAC Name: (4-bromo-1,3-thiazol-2-yl)methanethiol
SYSTEMATIC NAME: (4-bromanyl-1,3-thiazol-2-yl)methanethiol
MOLECULAR FORMULA: C4H4BrNS2
MOLECULAR WEIGHT: 210.11526
SMILES: C1=C(N=C(S1)CS)Br
Structure:
CAS RN: 749230-51-1
CAS Name: 2,3-difluoro-5-hydroxybenzoic acid
OPENEYE Name: 2,3-difluoro-5-hydroxy-benzoic acid
IUPAC Name: 2,3-difluoro-5-hydroxybenzoic acid
SYSTEMATIC NAME: 2,3-bis(fluoranyl)-5-oxidanyl-benzoic acid
MOLECULAR FORMULA: C7H4F2O3
MOLECULAR WEIGHT: 174.101666
SMILES: C1=C(C=C(C(=C1F)F)C(=O)O)O
Structure:
CAS RN: 24933-59-3
CAS Name: 3-(difluoromethylthio)aniline
OPENEYE Name: 3-(difluoromethylsulfanyl)aniline
IUPAC Name: 3-(difluoromethylsulfanyl)aniline
SYSTEMATIC NAME: 3-[bis(fluoranyl)methylsulfanyl]aniline
MOLECULAR FORMULA: C7H7F2NS
MOLECULAR WEIGHT: 175.198986
SMILES: C1=CC(=CC(=C1)SC(F)F)N
Structure:
CAS RN: 93129-69-2
CAS Name: 3-fluoro-4-phenylbenzonitrile
OPENEYE Name: 3-fluoro-4-phenyl-benzonitrile
IUPAC Name: 3-fluoro-4-phenylbenzonitrile
SYSTEMATIC NAME: 3-fluoranyl-4-phenyl-benzenecarbonitrile
MOLECULAR FORMULA: C13H8FN
MOLECULAR WEIGHT: 197.207723
SMILES: C1=CC=C(C=C1)C2=C(C=C(C=C2)C#N)F
Structure:
CAS RN: 886510-25-4
CAS Name: 4-bromo-5-fluoro-2-methoxyphenol
OPENEYE Name: 4-bromo-5-fluoro-2-methoxy-phenol
IUPAC Name: 4-bromo-5-fluoro-2-methoxyphenol
SYSTEMATIC NAME: 4-bromanyl-5-fluoranyl-2-methoxy-phenol
MOLECULAR FORMULA: C7H6BrFO2
MOLECULAR WEIGHT: 221.023743
SMILES: COC1=CC(=C(C=C1O)F)Br
Structure:
CAS RN: 886510-09-4
CAS Name: 3-fluoro-2-(trifluoromethyl)-4-pyridinecarboxylic acid
OPENEYE Name: 3-fluoro-2-(trifluoromethyl)pyridine-4-carboxylic acid
IUPAC Name: 3-fluoro-2-(trifluoromethyl)pyridine-4-carboxylic acid
SYSTEMATIC NAME: 3-fluoranyl-2-(trifluoromethyl)pyridine-4-carboxylic acid
MOLECULAR FORMULA: C7H3F4NO2
MOLECULAR WEIGHT: 209.097833
SMILES: C1=CN=C(C(=C1C(=O)O)F)C(F)(F)F
Structure:
CAS RN: 939793-19-8
CAS Name: 3-cyano-1H-indole-4-carboxylic acid methyl ester
OPENEYE Name: methyl 3-cyano-1H-indole-4-carboxylate
IUPAC Name: methyl 3-cyano-1H-indole-4-carboxylate
SYSTEMATIC NAME: methyl 3-cyano-1H-indole-4-carboxylate
MOLECULAR FORMULA: C11H8N2O2
MOLECULAR WEIGHT: 200.19342
SMILES: COC(=O)C1=C2C(=CC=C1)NC=C2C#N
Structure:
CAS RN: 933752-44-4
CAS Name: 5-bromo-2-thiazolecarboxaldehyde
OPENEYE Name: 5-bromothiazole-2-carbaldehyde
IUPAC Name: 5-bromo-1,3-thiazole-2-carbaldehyde
SYSTEMATIC NAME: 5-bromanyl-1,3-thiazole-2-carbaldehyde
MOLECULAR FORMULA: C4H2BrNOS
MOLECULAR WEIGHT: 192.03378
SMILES: C1=C(SC(=N1)C=O)Br
Structure:
CAS RN: 946061-21-8
CAS Name: 5-chloro-4-formyl-1-methyl-3-pyrazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 5-chloro-4-formyl-1-methyl-pyrazole-3-carboxylate
IUPAC Name: ethyl 5-chloro-4-formyl-1-methylpyrazole-3-carboxylate
SYSTEMATIC NAME: ethyl 5-chloranyl-4-methanoyl-1-methyl-pyrazole-3-carboxylate
MOLECULAR FORMULA: C8H9ClN2O3
MOLECULAR WEIGHT: 216.62166
SMILES: CCOC(=O)C1=NN(C(=C1C=O)Cl)C
Structure:
CAS RN: 914452-71-4
CAS Name: 2-bromo-6-methylpyrazine
OPENEYE Name: 2-bromo-6-methyl-pyrazine
IUPAC Name: 2-bromo-6-methylpyrazine
SYSTEMATIC NAME: 2-bromanyl-6-methyl-pyrazine
MOLECULAR FORMULA: C5H5BrN2
MOLECULAR WEIGHT: 173.0106
SMILES: CC1=CN=CC(=N1)Br
Structure:
CAS RN: 944709-71-1
CAS Name: 2-(dimethylamino)-4-iodo-3-pyridinecarboxaldehyde
OPENEYE Name: 2-(dimethylamino)-4-iodo-pyridine-3-carbaldehyde
IUPAC Name: 2-(dimethylamino)-4-iodopyridine-3-carbaldehyde
SYSTEMATIC NAME: 2-(dimethylamino)-4-iodanyl-pyridine-3-carbaldehyde
MOLECULAR FORMULA: C8H9IN2O
MOLECULAR WEIGHT: 276.07433
SMILES: CN(C)C1=NC=CC(=C1C=O)I
Structure:
CAS RN: 720693-19-6
CAS Name: 4-(6-chloro-2-pyrazinyl)morpholine
OPENEYE Name: 4-(6-chloropyrazin-2-yl)morpholine
IUPAC Name: 4-(6-chloropyrazin-2-yl)morpholine
SYSTEMATIC NAME: 4-(6-chloranylpyrazin-2-yl)morpholine
MOLECULAR FORMULA: C8H10ClN3O
MOLECULAR WEIGHT: 199.6375
SMILES: C1COCCN1C2=CN=CC(=N2)Cl
Structure:
CAS RN: 934236-41-6
CAS Name: 2-chloro-5-oxazolecarboxylic acid methyl ester
OPENEYE Name: methyl 2-chlorooxazole-5-carboxylate
IUPAC Name: methyl 2-chloro-1,3-oxazole-5-carboxylate
SYSTEMATIC NAME: methyl 2-chloranyl-1,3-oxazole-5-carboxylate
MOLECULAR FORMULA: C5H4ClNO3
MOLECULAR WEIGHT: 161.54316
SMILES: COC(=O)C1=CN=C(O1)Cl
Structure:
CAS RN: 934236-40-5
CAS Name: 2-amino-5-oxazolecarboxylic acid methyl ester
OPENEYE Name: methyl 2-aminooxazole-5-carboxylate
IUPAC Name: methyl 2-amino-1,3-oxazole-5-carboxylate
SYSTEMATIC NAME: methyl 2-azanyl-1,3-oxazole-5-carboxylate
MOLECULAR FORMULA: C5H6N2O3
MOLECULAR WEIGHT: 142.11274
SMILES: COC(=O)C1=CN=C(O1)N
Structure:
CAS RN: 5316-76-7
CAS Name: 5-chloro-4-methyl-2-thiazolamine
OPENEYE Name: 5-chloro-4-methyl-thiazol-2-amine
IUPAC Name: 5-chloro-4-methyl-1,3-thiazol-2-amine
SYSTEMATIC NAME: 5-chloranyl-4-methyl-1,3-thiazol-2-amine
MOLECULAR FORMULA: C4H5ClN2S
MOLECULAR WEIGHT: 148.6139
SMILES: CC1=C(SC(=N1)N)Cl
Structure:
CAS RN: 607373-82-0
CAS Name: 4-methoxy-5-nitro-1H-pyridin-2-one
OPENEYE Name: 4-methoxy-5-nitro-1H-pyridin-2-one
IUPAC Name: 4-methoxy-5-nitro-1H-pyridin-2-one
SYSTEMATIC NAME: 4-methoxy-5-nitro-1H-pyridin-2-one
MOLECULAR FORMULA: C6H6N2O4
MOLECULAR WEIGHT: 170.12284
SMILES: COC1=CC(=O)NC=C1[N+](=O)[O-]
Structure:
CAS RN: 934236-39-2
CAS Name: N-(5-bromo-2-chloro-4-pyrimidinyl)acetamide
OPENEYE Name: N-(5-bromo-2-chloro-pyrimidin-4-yl)acetamide
IUPAC Name: N-(5-bromo-2-chloropyrimidin-4-yl)acetamide
SYSTEMATIC NAME: N-(5-bromanyl-2-chloranyl-pyrimidin-4-yl)ethanamide
MOLECULAR FORMULA: C6H5BrClN3O
MOLECULAR WEIGHT: 250.4804
SMILES: CC(=O)NC1=NC(=NC=C1Br)Cl
Structure:
CAS RN: 460081-20-3
CAS Name: 2-bromo-4-oxazolecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-bromooxazole-4-carboxylate
IUPAC Name: ethyl 2-bromo-1,3-oxazole-4-carboxylate
SYSTEMATIC NAME: ethyl 2-bromanyl-1,3-oxazole-4-carboxylate
MOLECULAR FORMULA: C6H6BrNO3
MOLECULAR WEIGHT: 220.02074
SMILES: CCOC(=O)C1=COC(=N1)Br
Structure:
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