CAS RN: 115754-21-7
CAS Name: 3-fluoro-4-(trifluoromethyl)benzoic acid
OPENEYE Name: 3-fluoro-4-(trifluoromethyl)benzoic acid
IUPAC Name: 3-fluoro-4-(trifluoromethyl)benzoic acid
SYSTEMATIC NAME: 3-fluoranyl-4-(trifluoromethyl)benzoic acid
MOLECULAR FORMULA: C8H4F4O2
MOLECULAR WEIGHT: 208.109773
SMILES: C1=CC(=C(C=C1C(=O)O)F)C(F)(F)F
Structure:
CAS RN: 115029-23-7
CAS Name: 2-fluoro-5-(trifluoromethyl)benzoic acid
OPENEYE Name: 2-fluoro-5-(trifluoromethyl)benzoic acid
IUPAC Name: 2-fluoro-5-(trifluoromethyl)benzoic acid
SYSTEMATIC NAME: 2-fluoranyl-5-(trifluoromethyl)benzoic acid
MOLECULAR FORMULA: C8H4F4O2
MOLECULAR WEIGHT: 208.109773
SMILES: C1=CC(=C(C=C1C(F)(F)F)C(=O)O)F
Structure:
CAS RN: 170906-33-9
CAS Name: (3S,5S)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydrooxazolo[3,4-c]oxazole
OPENEYE Name: (3S,5S)-7a-ethyl-3,5-diisopropyl-1,3,5,7-tetrahydrooxazolo[3,4-c]oxazole
IUPAC Name: (3S,5S)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SYSTEMATIC NAME: (3S,5S)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
MOLECULAR FORMULA: C13H25NO2
MOLECULAR WEIGHT: 227.3431
SMILES: CCC12CO[C@H](N1[C@@H](OC2)C(C)C)C(C)C
Structure:
CAS RN: 220455-85-6
CAS Name: (3S,5S)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydrooxazolo[3,4-c]oxazole
OPENEYE Name: (3S,5S)-7a-ethyl-3,5-diisopropyl-1,3,5,7-tetrahydrooxazolo[3,4-c]oxazole
IUPAC Name: (3S,5S)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SYSTEMATIC NAME: (3S,5S)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
MOLECULAR FORMULA: C13H25NO2
MOLECULAR WEIGHT: 227.3431
SMILES: CCC12CO[C@H](N1[C@@H](OC2)C(C)C)C(C)C
Structure:
CAS RN: 79185-77-6
CAS Name: (3S,5S)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydrooxazolo[3,4-c]oxazole
OPENEYE Name: (3S,5S)-7a-ethyl-3,5-diisopropyl-1,3,5,7-tetrahydrooxazolo[3,4-c]oxazole
IUPAC Name: (3S,5S)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
SYSTEMATIC NAME: (3S,5S)-7a-ethyl-3,5-di(propan-2-yl)-1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazole
MOLECULAR FORMULA: C13H25NO2
MOLECULAR WEIGHT: 227.3431
SMILES: CCC12CO[C@H](N1[C@@H](OC2)C(C)C)C(C)C
Structure:
CAS RN: 23672-07-3
CAS Name: N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2-methoxy-5-sulfamoylbenzamide
OPENEYE Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoyl-benzamide
IUPAC Name: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoylbenzamide
SYSTEMATIC NAME: N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-methoxy-5-sulfamoyl-benzamide
MOLECULAR FORMULA: C15H23N3O4S
MOLECULAR WEIGHT: 341.42582
SMILES: CCN1CCC[C@H]1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC
Structure:
CAS RN: 141179-72-8
CAS Name: 4-fluoro-2-(trifluoromethyl)benzoic acid
OPENEYE Name: 4-fluoro-2-(trifluoromethyl)benzoic acid
IUPAC Name: 4-fluoro-2-(trifluoromethyl)benzoic acid
SYSTEMATIC NAME: 4-fluoranyl-2-(trifluoromethyl)benzoic acid
MOLECULAR FORMULA: C8H4F4O2
MOLECULAR WEIGHT: 208.109773
SMILES: C1=CC(=C(C=C1F)C(F)(F)F)C(=O)O
Structure:
CAS RN: 96549-95-0
CAS Name: 2-(2-benzotriazolyl)-4-(2-hydroxyethyl)phenol
OPENEYE Name: 2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol
IUPAC Name: 2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol
SYSTEMATIC NAME: 2-(benzotriazol-2-yl)-4-(2-hydroxyethyl)phenol
MOLECULAR FORMULA: C14H13N3O2
MOLECULAR WEIGHT: 255.27192
SMILES: C1=CC2=NN(N=C2C=C1)C3=C(C=CC(=C3)CCO)O
Structure:
CAS RN: 99479-66-0
CAS Name: 2,6-dichloro-4-(trifluoromethoxy)aniline
OPENEYE Name: 2,6-dichloro-4-(trifluoromethoxy)aniline
IUPAC Name: 2,6-dichloro-4-(trifluoromethoxy)aniline
SYSTEMATIC NAME: 2,6-bis(chloranyl)-4-(trifluoromethyloxy)aniline
MOLECULAR FORMULA: C7H4Cl2F3NO
MOLECULAR WEIGHT: 246.01397
SMILES: C1=C(C=C(C(=C1Cl)N)Cl)OC(F)(F)F
Structure:
CAS RN: 116272-78-7
CAS Name: 1-chloro-3-fluoro-2-[(E)-2-nitroethenyl]benzene
OPENEYE Name: 1-chloro-3-fluoro-2-[(E)-2-nitrovinyl]benzene
IUPAC Name: 1-chloro-3-fluoro-2-[(E)-2-nitroethenyl]benzene
SYSTEMATIC NAME: 1-chloranyl-3-fluoranyl-2-[(E)-2-nitroethenyl]benzene
MOLECULAR FORMULA: C8H5ClFNO2
MOLECULAR WEIGHT: 201.582203
SMILES: C1=CC(=C(C(=C1)Cl)/C=C/[N+](=O)[O-])F
Structure:
CAS RN: 84942-40-5
CAS Name: 1-(5-chloro-2-hydroxy-3-nitrophenyl)ethanone
OPENEYE Name: 1-(5-chloro-2-hydroxy-3-nitro-phenyl)ethanone
IUPAC Name: 1-(5-chloro-2-hydroxy-3-nitrophenyl)ethanone
SYSTEMATIC NAME: 1-(5-chloranyl-3-nitro-2-oxidanyl-phenyl)ethanone
MOLECULAR FORMULA: C8H6ClNO4
MOLECULAR WEIGHT: 215.59054
SMILES: CC(=O)C1=CC(=CC(=C1O)[N+](=O)[O-])Cl
Structure:
CAS RN: 99696-01-2
CAS Name: 1-[(E)-2-nitroethenyl]-4-(trifluoromethyl)benzene
OPENEYE Name: 1-[(E)-2-nitrovinyl]-4-(trifluoromethyl)benzene
IUPAC Name: 1-[(E)-2-nitroethenyl]-4-(trifluoromethyl)benzene
SYSTEMATIC NAME: 1-[(E)-2-nitroethenyl]-4-(trifluoromethyl)benzene
MOLECULAR FORMULA: C9H6F3NO2
MOLECULAR WEIGHT: 217.14465
SMILES: C1=CC(=CC=C1/C=C/[N+](=O)[O-])C(F)(F)F
Structure:
CAS RN: 1891-10-7
CAS Name: 2,4-dimethoxy-1-[(E)-2-nitroethenyl]benzene
OPENEYE Name: 2,4-dimethoxy-1-[(E)-2-nitrovinyl]benzene
IUPAC Name: 2,4-dimethoxy-1-[(E)-2-nitroethenyl]benzene
SYSTEMATIC NAME: 2,4-dimethoxy-1-[(E)-2-nitroethenyl]benzene
MOLECULAR FORMULA: C10H11NO4
MOLECULAR WEIGHT: 209.19864
SMILES: COC1=CC(=C(C=C1)/C=C/[N+](=O)[O-])OC
Structure:
CAS RN: 86398-94-9
CAS Name: [2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine
OPENEYE Name: [2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine
IUPAC Name: [2,6-dichloro-4-(trifluoromethyl)phenyl]hydrazine
SYSTEMATIC NAME: [2,6-bis(chloranyl)-4-(trifluoromethyl)phenyl]diazane
MOLECULAR FORMULA: C7H5Cl2F3N2
MOLECULAR WEIGHT: 245.02921
SMILES: C1=C(C=C(C(=C1Cl)NN)Cl)C(F)(F)F
Structure:
CAS RN: 88755-39-9
CAS Name: 2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-4-pyranylidene]propanedinitrile
OPENEYE Name: 2-[2-[(E)-2-[4-(dimethylamino)phenyl]vinyl]-6-methyl-pyran-4-ylidene]propanedinitrile
IUPAC Name: 2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methylpyran-4-ylidene]propanedinitrile
SYSTEMATIC NAME: 2-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-pyran-4-ylidene]propanedinitrile
MOLECULAR FORMULA: C19H17N3O
MOLECULAR WEIGHT: 303.35778
SMILES: CC1=CC(=C(C#N)C#N)C=C(O1)/C=C/C2=CC=C(C=C2)N(C)C
Structure:
CAS RN: 108149-60-6
CAS Name: (4S)-2,2-dimethyloxazolidine-3,4-dicarboxylic acid O3-tert-butyl ester O4-methyl ester
OPENEYE Name: O3-tert-butyl O4-methyl (4S)-2,2-dimethyloxazolidine-3,4-dicarboxylate
IUPAC Name: 3-O-tert-butyl 4-O-methyl (4S)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
SYSTEMATIC NAME: O3-tert-butyl O4-methyl (4S)-2,2-dimethyl-1,3-oxazolidine-3,4-dicarboxylate
MOLECULAR FORMULA: C12H21NO5
MOLECULAR WEIGHT: 259.29884
SMILES: CC1(N([C@@H](CO1)C(=O)OC)C(=O)OC(C)(C)C)C
Structure:
CAS RN: 131833-97-1
CAS Name: (4R)-4-tert-butyl-2-[2-[(4R)-4-tert-butyl-4,5-dihydrooxazol-2-yl]propan-2-yl]-4,5-dihydrooxazole
OPENEYE Name: (4R)-4-tert-butyl-2-[1-[(4R)-4-tert-butyl-4,5-dihydrooxazol-2-yl]-1-methyl-ethyl]-4,5-dihydrooxazole
IUPAC Name: (4R)-4-tert-butyl-2-[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
SYSTEMATIC NAME: (4R)-4-tert-butyl-2-[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
MOLECULAR FORMULA: C17H30N2O2
MOLECULAR WEIGHT: 294.4323
SMILES: CC(C)(C)[C@@H]1COC(=N1)C(C)(C)C2=N[C@@H](CO2)C(C)(C)C
Structure:
CAS RN: 3156-37-4
CAS Name: 1-bromo-4-[(E)-2-nitroethenyl]benzene
OPENEYE Name: 1-bromo-4-[(E)-2-nitrovinyl]benzene
IUPAC Name: 1-bromo-4-[(E)-2-nitroethenyl]benzene
SYSTEMATIC NAME: 1-bromanyl-4-[(E)-2-nitroethenyl]benzene
MOLECULAR FORMULA: C8H6BrNO2
MOLECULAR WEIGHT: 228.04274
SMILES: C1=CC(=CC=C1/C=C/[N+](=O)[O-])Br
Structure:
CAS RN: 18300-89-5
CAS Name: (Z)-2-cyano-3-phenyl-2-butenoic acid ethyl ester
OPENEYE Name: ethyl (Z)-2-cyano-3-phenyl-but-2-enoate
IUPAC Name: ethyl (Z)-2-cyano-3-phenylbut-2-enoate
SYSTEMATIC NAME: ethyl (Z)-2-cyano-3-phenyl-but-2-enoate
MOLECULAR FORMULA: C13H13NO2
MOLECULAR WEIGHT: 215.24782
SMILES: CCOC(=O)/C(=C(/C)\C1=CC=CC=C1)/C#N
Structure:
CAS RN: 55507-05-6
CAS Name: 1-methoxy-4-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
OPENEYE Name: 2-benzyloxy-1-methoxy-4-[(E)-2-nitrovinyl]benzene
IUPAC Name: 1-methoxy-4-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
SYSTEMATIC NAME: 1-methoxy-4-[(E)-2-nitroethenyl]-2-phenylmethoxy-benzene
MOLECULAR FORMULA: C16H15NO4
MOLECULAR WEIGHT: 285.2946
SMILES: COC1=C(C=C(C=C1)/C=C/[N+](=O)[O-])OCC2=CC=CC=C2
Structure:
CAS RN: 634614-25-8
CAS Name: (4R)-2-oxo-3-phenylmethoxycarbonyl-4-imidazolidinecarboxylic acid
OPENEYE Name: (4R)-3-benzyloxycarbonyl-2-oxo-imidazolidine-4-carboxylic acid
IUPAC Name: (4R)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acid
SYSTEMATIC NAME: (4R)-2-oxidanylidene-3-phenylmethoxycarbonyl-imidazolidine-4-carboxylic acid
MOLECULAR FORMULA: C12H12N2O5
MOLECULAR WEIGHT: 264.23408
SMILES: C1[C@@H](N(C(=O)N1)C(=O)OCC2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 26198-21-0
CAS Name: 1-hydroxy-6-(trifluoromethyl)benzotriazole
OPENEYE Name: 1-hydroxy-6-(trifluoromethyl)benzotriazole
IUPAC Name: 1-hydroxy-6-(trifluoromethyl)benzotriazole
SYSTEMATIC NAME: 1-oxidanyl-6-(trifluoromethyl)benzotriazole
MOLECULAR FORMULA: C7H4F3N3O
MOLECULAR WEIGHT: 203.12137
SMILES: C1=CC2=C(C=C1C(F)(F)F)N(N=N2)O
Structure:
CAS RN: 1009-22-9
CAS Name: N-(2-bromo-4-fluorophenyl)acetamide
OPENEYE Name: N-(2-bromo-4-fluoro-phenyl)acetamide
IUPAC Name: N-(2-bromo-4-fluorophenyl)acetamide
SYSTEMATIC NAME: N-(2-bromanyl-4-fluoranyl-phenyl)ethanamide
MOLECULAR FORMULA: C8H7BrFNO
MOLECULAR WEIGHT: 232.049683
SMILES: CC(=O)NC1=C(C=C(C=C1)F)Br
Structure:
CAS RN: 657-06-7
CAS Name: 2-chloro-5-(trifluoromethyl)benzoic acid
OPENEYE Name: 2-chloro-5-(trifluoromethyl)benzoic acid
IUPAC Name: 2-chloro-5-(trifluoromethyl)benzoic acid
SYSTEMATIC NAME: 2-chloranyl-5-(trifluoromethyl)benzoic acid
MOLECULAR FORMULA: C8H4ClF3O2
MOLECULAR WEIGHT: 224.56437
SMILES: C1=CC(=C(C=C1C(F)(F)F)C(=O)O)Cl
Structure:
CAS RN: 82386-89-8
CAS Name: 2-chloro-5-(trifluoromethyl)benzaldehyde
OPENEYE Name: 2-chloro-5-(trifluoromethyl)benzaldehyde
IUPAC Name: 2-chloro-5-(trifluoromethyl)benzaldehyde
SYSTEMATIC NAME: 2-chloranyl-5-(trifluoromethyl)benzaldehyde
MOLECULAR FORMULA: C8H4ClF3O
MOLECULAR WEIGHT: 208.56497
SMILES: C1=CC(=C(C=C1C(F)(F)F)C=O)Cl
Structure:
CAS RN: 172478-10-3
CAS Name: (2R)-1-(phenylmethyl)-2-pyrrolidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl (2R)-1-benzylpyrrolidine-2-carboxylate
IUPAC Name: ethyl (2R)-1-benzylpyrrolidine-2-carboxylate
SYSTEMATIC NAME: ethyl (2R)-1-(phenylmethyl)pyrrolidine-2-carboxylate
MOLECULAR FORMULA: C14H19NO2
MOLECULAR WEIGHT: 233.30616
SMILES: CCOC(=O)[C@H]1CCCN1CC2=CC=CC=C2
Structure:
CAS RN: 98081-83-5
CAS Name: 6-methoxy-1H-indole-2-carboxylic acid methyl ester
OPENEYE Name: methyl 6-methoxy-1H-indole-2-carboxylate
IUPAC Name: methyl 6-methoxy-1H-indole-2-carboxylate
SYSTEMATIC NAME: methyl 6-methoxy-1H-indole-2-carboxylate
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: COC1=CC2=C(C=C1)C=C(N2)C(=O)OC
Structure:
CAS RN: 111258-23-2
CAS Name: 4-methoxy-1H-indole-2-carboxylic acid methyl ester
OPENEYE Name: methyl 4-methoxy-1H-indole-2-carboxylate
IUPAC Name: methyl 4-methoxy-1H-indole-2-carboxylate
SYSTEMATIC NAME: methyl 4-methoxy-1H-indole-2-carboxylate
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: COC1=CC=CC2=C1C=C(N2)C(=O)OC
Structure:
CAS RN: 81477-94-3
CAS Name: 2-[(diphenylmethylene)amino]acetic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-(benzhydrylideneamino)acetate
IUPAC Name: tert-butyl 2-(benzhydrylideneamino)acetate
SYSTEMATIC NAME: tert-butyl 2-[(diphenylmethylidene)amino]ethanoate
MOLECULAR FORMULA: C19H21NO2
MOLECULAR WEIGHT: 295.37554
SMILES: CC(C)(C)OC(=O)CN=C(C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 97986-06-6
CAS Name: chloromethanethioic acid O-(3-tert-butylphenyl) ester
OPENEYE Name: O-(3-tert-butylphenyl) chloromethanethioate
IUPAC Name: O-(3-tert-butylphenyl) chloromethanethioate
SYSTEMATIC NAME: O-(3-tert-butylphenyl) chloranylmethanethioate
MOLECULAR FORMULA: C11H13ClOS
MOLECULAR WEIGHT: 228.73832
SMILES: CC(C)(C)C1=CC(=CC=C1)OC(=S)Cl
Structure:
CAS RN: 37031-30-4
CAS Name: (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
IUPAC Name: dimethyl (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
SYSTEMATIC NAME: dimethyl (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
MOLECULAR FORMULA: C9H14O6
MOLECULAR WEIGHT: 218.20386
SMILES: CC1(O[C@@H]([C@H](O1)C(=O)OC)C(=O)OC)C
Structure:
CAS RN: 37031-29-1
CAS Name: (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
IUPAC Name: dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
SYSTEMATIC NAME: dimethyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
MOLECULAR FORMULA: C9H14O6
MOLECULAR WEIGHT: 218.20386
SMILES: CC1(O[C@H]([C@@H](O1)C(=O)OC)C(=O)OC)C
Structure:
CAS RN: 57105-45-0
CAS Name: (2S,3R)-2-[[2-(1H-indol-3-yl)-1-oxoethyl]amino]-3-methylpentanoic acid
OPENEYE Name: (2S,3R)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methyl-pentanoic acid
IUPAC Name: (2S,3R)-2-[[2-(1H-indol-3-yl)acetyl]amino]-3-methylpentanoic acid
SYSTEMATIC NAME: (2S,3R)-2-[2-(1H-indol-3-yl)ethanoylamino]-3-methyl-pentanoic acid
MOLECULAR FORMULA: C16H20N2O3
MOLECULAR WEIGHT: 288.3416
SMILES: CC[C@@H](C)[C@@H](C(=O)O)NC(=O)CC1=CNC2=CC=CC=C21
Structure:
CAS RN: 7346-46-5
CAS Name: (2S)-3-(2-chlorophenyl)-2-cyanopropanoic acid methyl ester
OPENEYE Name: methyl (2S)-3-(2-chlorophenyl)-2-cyano-propanoate
IUPAC Name: methyl (2S)-3-(2-chlorophenyl)-2-cyanopropanoate
SYSTEMATIC NAME: methyl (2S)-3-(2-chlorophenyl)-2-cyano-propanoate
MOLECULAR FORMULA: C11H10ClNO2
MOLECULAR WEIGHT: 223.6556
SMILES: COC(=O)[C@@H](CC1=CC=CC=C1Cl)C#N
Structure:
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