Product OPENEYE NAME: (3-cyano-2-methyl-cyclopent-2-en-1-yl) diethyl phosphate
CAS Name: phosphoric acid (3-cyano-2-methyl-1-cyclopent-2-enyl) diethyl ester
IUPAC NAME: (3-cyano-2-methylcyclopent-2-en-1-yl) diethyl phosphate
SYSTEMATIC NAME: (3-cyano-2-methyl-cyclopent-2-en-1-yl) diethyl phosphate
MOLECULAR FORMULA: C11H18NO4P
MOLECULAR WEIGHT: 259.238681
SMILES: CCOP(=O)(OCC)OC1CCC(=C1C)C#N
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Product OPENEYE NAME: 3-hydroxycyclopentene-1-carbonitrile
CAS Name: 3-hydroxy-1-cyclopentenecarbonitrile
IUPAC NAME: 3-hydroxycyclopentene-1-carbonitrile
SYSTEMATIC NAME: 3-oxidanylcyclopentene-1-carbonitrile
MOLECULAR FORMULA: C6H7NO
MOLECULAR WEIGHT: 109.12588
SMILES: C1CC(=CC1O)C#N
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Product OPENEYE NAME: 2-methyl-3-oxo-cyclopentene-1-carbonitrile
CAS Name: 2-methyl-3-oxo-1-cyclopentenecarbonitrile
IUPAC NAME: 2-methyl-3-oxocyclopentene-1-carbonitrile
SYSTEMATIC NAME: 2-methyl-3-oxidanylidene-cyclopentene-1-carbonitrile
MOLECULAR FORMULA: C7H7NO
MOLECULAR WEIGHT: 121.13658
SMILES: CC1=C(CCC1=O)C#N
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Product OPENEYE NAME: 3-oxocyclopentene-1-carbonitrile
CAS Name: 3-oxo-1-cyclopentenecarbonitrile
IUPAC NAME: 3-oxocyclopentene-1-carbonitrile
SYSTEMATIC NAME: 3-oxidanylidenecyclopentene-1-carbonitrile
MOLECULAR FORMULA: C6H5NO
MOLECULAR WEIGHT: 107.11
SMILES: C1CC(=O)C=C1C#N
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Product OPENEYE NAME: 3-(trifluoromethyl)-1,4-benzoxazin-2-one
CAS Name: 3-(trifluoromethyl)-1,4-benzoxazin-2-one
IUPAC NAME: 3-(trifluoromethyl)-1,4-benzoxazin-2-one
SYSTEMATIC NAME: 3-(trifluoromethyl)-1,4-benzoxazin-2-one
MOLECULAR FORMULA: C9H4F3NO2
MOLECULAR WEIGHT: 215.12877
SMILES: C1=CC=C2C(=C1)N=C(C(=O)O2)C(F)(F)F
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Product OPENEYE NAME: 6-methyl-3-(trifluoromethyl)-1,4-benzoxazin-2-one
CAS Name: 6-methyl-3-(trifluoromethyl)-1,4-benzoxazin-2-one
IUPAC NAME: 6-methyl-3-(trifluoromethyl)-1,4-benzoxazin-2-one
SYSTEMATIC NAME: 6-methyl-3-(trifluoromethyl)-1,4-benzoxazin-2-one
MOLECULAR FORMULA: C10H6F3NO2
MOLECULAR WEIGHT: 229.15535
SMILES: CC1=CC2=C(C=C1)OC(=O)C(=N2)C(F)(F)F
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Product OPENEYE NAME: 6-chloro-3-(trifluoromethyl)-1,4-benzoxazin-2-one
CAS Name: 6-chloro-3-(trifluoromethyl)-1,4-benzoxazin-2-one
IUPAC NAME: 6-chloro-3-(trifluoromethyl)-1,4-benzoxazin-2-one
SYSTEMATIC NAME: 6-chloranyl-3-(trifluoromethyl)-1,4-benzoxazin-2-one
MOLECULAR FORMULA: C9H3ClF3NO2
MOLECULAR WEIGHT: 249.57383
SMILES: C1=CC2=C(C=C1Cl)N=C(C(=O)O2)C(F)(F)F
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Product OPENEYE NAME: 2-(trifluoromethyl)-2,3-dihydro-1,3-benzoxazole
CAS Name: 2-(trifluoromethyl)-2,3-dihydro-1,3-benzoxazole
IUPAC NAME: 2-(trifluoromethyl)-2,3-dihydro-1,3-benzoxazole
SYSTEMATIC NAME: 2-(trifluoromethyl)-2,3-dihydro-1,3-benzoxazole
MOLECULAR FORMULA: C8H6F3NO
MOLECULAR WEIGHT: 189.13455
SMILES: C1=CC=C2C(=C1)NC(O2)C(F)(F)F
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Product OPENEYE NAME: 3-[(Z)-1-(hydroxyamino)-2-nitroso-vinyl]adamantan-1-ol
CAS Name: 3-[(Z)-1-(hydroxyamino)-2-nitrosoethenyl]-1-adamantanol
IUPAC NAME: 3-[(Z)-1-(hydroxyamino)-2-nitrosoethenyl]adamantan-1-ol
SYSTEMATIC NAME: 3-[(Z)-2-nitroso-1-(oxidanylamino)ethenyl]adamantan-1-ol
MOLECULAR FORMULA: C12H18N2O3
MOLECULAR WEIGHT: 238.28292
SMILES: C1C2CC3(CC1CC(C2)(C3)O)/C(=C/N=O)/NO
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Product OPENEYE NAME: 3-methyl-5-nitrooxy-adamantane-1-carboxylic acid
CAS Name: 3-methyl-5-nitrooxy-1-adamantanecarboxylic acid
IUPAC NAME: 3-methyl-5-nitrooxyadamantane-1-carboxylic acid
SYSTEMATIC NAME: 3-methyl-5-nitrooxy-adamantane-1-carboxylic acid
MOLECULAR FORMULA: C12H17NO5
MOLECULAR WEIGHT: 255.26708
SMILES: CC12CC3CC(C1)(CC(C3)(C2)O[N+](=O)[O-])C(=O)O
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Product OPENEYE NAME: 3,5-dimethyl-7-nitrooxy-adamantane-1-carboxylic acid
CAS Name: 3,5-dimethyl-7-nitrooxy-1-adamantanecarboxylic acid
IUPAC NAME: 3,5-dimethyl-7-nitrooxyadamantane-1-carboxylic acid
SYSTEMATIC NAME: 3,5-dimethyl-7-nitrooxy-adamantane-1-carboxylic acid
MOLECULAR FORMULA: C13H19NO5
MOLECULAR WEIGHT: 269.29366
SMILES: CC12CC3(CC(C1)(CC(C2)(C3)O[N+](=O)[O-])C(=O)O)C
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Product OPENEYE NAME: oxiran-2-ylmethyl 2-(1-adamantyl)acetate
CAS Name: 2-(1-adamantyl)acetic acid 2-oxiranylmethyl ester
IUPAC NAME: oxiran-2-ylmethyl 2-(1-adamantyl)acetate
SYSTEMATIC NAME: oxiran-2-ylmethyl 2-(1-adamantyl)ethanoate
MOLECULAR FORMULA: C15H22O3
MOLECULAR WEIGHT: 250.33338
SMILES: C1C2CC3CC1CC(C2)(C3)CC(=O)OCC4CO4
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Product OPENEYE NAME: 6-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-b]thiazol-5-amine hydrochloride
CAS Name: 6-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-b]thiazol-5-amine hydrochloride
IUPAC NAME: 6-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-amine hydrochloride
SYSTEMATIC NAME: 6-(4-methoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-amine hydrochloride
MOLECULAR FORMULA: C12H14ClN3OS
MOLECULAR WEIGHT: 283.77706
SMILES: COC1=CC=C(C=C1)C2=C(N3CCSC3=N2)N.Cl
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Product OPENEYE NAME: 6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b]thiazole
CAS Name: 6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b]thiazole
IUPAC NAME: 6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
SYSTEMATIC NAME: 6-(4-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole
MOLECULAR FORMULA: C11H9FN2S
MOLECULAR WEIGHT: 220.265963
SMILES: C1CSC2=NC(=CN21)C3=CC=C(C=C3)F
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Product OPENEYE NAME: 1-(5-chloro-2-methyl-phenyl)-2H-tetrazole-5-thione
CAS Name: 1-(5-chloro-2-methylphenyl)-2H-tetrazole-5-thione
IUPAC NAME: 1-(5-chloro-2-methylphenyl)-2H-tetrazole-5-thione
SYSTEMATIC NAME: 1-(5-chloranyl-2-methyl-phenyl)-2H-1,2,3,4-tetrazole-5-thione
MOLECULAR FORMULA: C8H7ClN4S
MOLECULAR WEIGHT: 226.68598
SMILES: CC1=C(C=C(C=C1)Cl)N2C(=S)N=NN2
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Product OPENEYE NAME: 1-(2-nitrophenyl)-2H-tetrazole-5-thione
CAS Name: 1-(2-nitrophenyl)-2H-tetrazole-5-thione
IUPAC NAME: 1-(2-nitrophenyl)-2H-tetrazole-5-thione
SYSTEMATIC NAME: 1-(2-nitrophenyl)-2H-1,2,3,4-tetrazole-5-thione
MOLECULAR FORMULA: C7H5N5O2S
MOLECULAR WEIGHT: 223.2119
SMILES: C1=CC=C(C(=C1)N2C(=S)N=NN2)[N+](=O)[O-]
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Product OPENEYE NAME: methyl N-tert-butylbenzenecarboximidate
CAS Name: N-tert-butylbenzenecarboximidic acid methyl ester
IUPAC NAME: methyl N-tert-butylbenzenecarboximidate
SYSTEMATIC NAME: methyl N-tert-butylbenzenecarboximidate
MOLECULAR FORMULA: C12H17NO
MOLECULAR WEIGHT: 191.26948
SMILES: CC(C)(C)N=C(C1=CC=CC=C1)OC
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Product OPENEYE NAME: bis(tert-butylamino) carbonate
CAS Name: carbonic acid bis(tert-butylamino) ester
IUPAC NAME: bis(tert-butylamino) carbonate
SYSTEMATIC NAME: bis(tert-butylamino) carbonate
MOLECULAR FORMULA: C9H20N2O3
MOLECULAR WEIGHT: 204.2667
SMILES: CC(C)(C)NOC(=O)ONC(C)(C)C
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Product OPENEYE NAME: 2,4-ditert-butyl-1,5,2,4-dioxadiazinane-3,6-dione
CAS Name: 2,4-ditert-butyl-1,5,2,4-dioxadiazinane-3,6-dione
IUPAC NAME: 2,4-ditert-butyl-1,5,2,4-dioxadiazinane-3,6-dione
SYSTEMATIC NAME: 2,4-ditert-butyl-1,5,2,4-dioxadiazinane-3,6-dione
MOLECULAR FORMULA: C10H18N2O4
MOLECULAR WEIGHT: 230.26092
SMILES: CC(C)(C)N1C(=O)N(OC(=O)O1)C(C)(C)C
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Product OPENEYE NAME: 5-iodopentan-2-ol
CAS Name: 5-iodo-2-pentanol
IUPAC NAME: 5-iodopentan-2-ol
SYSTEMATIC NAME: 5-iodanylpentan-2-ol
MOLECULAR FORMULA: C5H11IO
MOLECULAR WEIGHT: 214.04471
SMILES: CC(CCCI)O
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Product OPENEYE NAME: 4-(4-carboxybenzoyl)oxycarbonylbenzoic acid
CAS Name: 4-[[(4-carboxyphenyl)-oxomethoxy]-oxomethyl]benzoic acid
IUPAC NAME: 4-(4-carboxybenzoyl)oxycarbonylbenzoic acid
SYSTEMATIC NAME: 4-(4-carboxyphenyl)carbonyloxycarbonylbenzoic acid
MOLECULAR FORMULA: C16H10O7
MOLECULAR WEIGHT: 314.2464
SMILES: C1=CC(=CC=C1C(=O)O)C(=O)OC(=O)C2=CC=C(C=C2)C(=O)O
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Product OPENEYE NAME: 3-isobutylcyclopent-2-en-1-one
CAS Name: 3-(2-methylpropyl)-1-cyclopent-2-enone
IUPAC NAME: 3-(2-methylpropyl)cyclopent-2-en-1-one
SYSTEMATIC NAME: 3-(2-methylpropyl)cyclopent-2-en-1-one
MOLECULAR FORMULA: C9H14O
MOLECULAR WEIGHT: 138.20686
SMILES: CC(C)CC1=CC(=O)CC1
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