Product OPENEYE NAME: N-acetylacetamide
CAS Name: N-acetylacetamide
IUPAC NAME: N-acetylacetamide
SYSTEMATIC NAME: N-ethanoylethanamide
MOLECULAR FORMULA: C4H7NO2
MOLECULAR WEIGHT: 101.10388
SMILES: CC(=O)NC(=O)C
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Product OPENEYE NAME: 2-isopropylsulfanylpropane
CAS Name: 2-(propan-2-ylthio)propane
IUPAC NAME: 2-propan-2-ylsulfanylpropane
SYSTEMATIC NAME: 2-propan-2-ylsulfanylpropane
MOLECULAR FORMULA: C6H14S
MOLECULAR WEIGHT: 118.24036
SMILES: CC(C)SC(C)C
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Product OPENEYE NAME: 2,5-dimethyl-1H-pyrrole
CAS Name: 2,5-dimethyl-1H-pyrrole
IUPAC NAME: 2,5-dimethyl-1H-pyrrole
SYSTEMATIC NAME: 2,5-dimethyl-1H-pyrrole
MOLECULAR FORMULA: C6H9N
MOLECULAR WEIGHT: 95.14236
SMILES: CC1=CC=C(N1)C
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Product OPENEYE NAME: 2,5-dimethylfuran
CAS Name: 2,5-dimethylfuran
IUPAC NAME: 2,5-dimethylfuran
SYSTEMATIC NAME: 2,5-dimethylfuran
MOLECULAR FORMULA: C6H8O
MOLECULAR WEIGHT: 96.12712
SMILES: CC1=CC=C(O1)C
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Product OPENEYE NAME: N,N-bis(2,2,2-trifluoroethyl)nitrous amide
CAS Name: N,N-bis(2,2,2-trifluoroethyl)nitrous amide
IUPAC NAME: N,N-bis(2,2,2-trifluoroethyl)nitrous amide
SYSTEMATIC NAME: N,N-bis[2,2,2-tris(fluoranyl)ethyl]nitrous amide
MOLECULAR FORMULA: C4H4F6N2O
MOLECULAR WEIGHT: 210.077779
SMILES: C(C(F)(F)F)N(CC(F)(F)F)N=O
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Product OPENEYE NAME: 1-iodo-3-methyl-benzene
CAS Name: 1-iodo-3-methylbenzene
IUPAC NAME: 1-iodo-3-methylbenzene
SYSTEMATIC NAME: 1-iodanyl-3-methyl-benzene
MOLECULAR FORMULA: C7H7I
MOLECULAR WEIGHT: 218.03495
SMILES: CC1=CC(=CC=C1)I
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Product OPENEYE NAME: 1-chloro-3-iodo-benzene
CAS Name: 1-chloro-3-iodobenzene
IUPAC NAME: 1-chloro-3-iodobenzene
SYSTEMATIC NAME: 1-chloranyl-3-iodanyl-benzene
MOLECULAR FORMULA: C6H4ClI
MOLECULAR WEIGHT: 238.45343
SMILES: C1=CC(=CC(=C1)I)Cl
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Product OPENEYE NAME: 1,3-diiodobenzene
CAS Name: 1,3-diiodobenzene
IUPAC NAME: 1,3-diiodobenzene
SYSTEMATIC NAME: 1,3-bis(iodanyl)benzene
MOLECULAR FORMULA: C6H4I2
MOLECULAR WEIGHT: 329.9049
SMILES: C1=CC(=CC(=C1)I)I
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Product OPENEYE NAME: 3-iodoaniline
CAS Name: 3-iodoaniline
IUPAC NAME: 3-iodoaniline
SYSTEMATIC NAME: 3-iodanylaniline
MOLECULAR FORMULA: C6H6IN
MOLECULAR WEIGHT: 219.02301
SMILES: C1=CC(=CC(=C1)I)N
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Product OPENEYE NAME: 3-iodophenol
CAS Name: 3-iodophenol
IUPAC NAME: 3-iodophenol
SYSTEMATIC NAME: 3-iodanylphenol
MOLECULAR FORMULA: C6H5IO
MOLECULAR WEIGHT: 220.00777
SMILES: C1=CC(=CC(=C1)I)O
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Product OPENEYE NAME: 2-hydroxy-1H-pyridin-4-one
CAS Name: 2-hydroxy-1H-pyridin-4-one
IUPAC NAME: 2-hydroxy-1H-pyridin-4-one
SYSTEMATIC NAME: 2-oxidanyl-1H-pyridin-4-one
MOLECULAR FORMULA: C5H5NO2
MOLECULAR WEIGHT: 111.0987
SMILES: C1=CNC(=CC1=O)O
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Product OPENEYE NAME: 2,6-dibromopyridine
CAS Name: 2,6-dibromopyridine
IUPAC NAME: 2,6-dibromopyridine
SYSTEMATIC NAME: 2,6-bis(bromanyl)pyridine
MOLECULAR FORMULA: C5H3Br2N
MOLECULAR WEIGHT: 236.89202
SMILES: C1=CC(=NC(=C1)Br)Br
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Product OPENEYE NAME: 1,3-bis(chloromethyl)benzene
CAS Name: 1,3-bis(chloromethyl)benzene
IUPAC NAME: 1,3-bis(chloromethyl)benzene
SYSTEMATIC NAME: 1,3-bis(chloromethyl)benzene
MOLECULAR FORMULA: C8H8Cl2
MOLECULAR WEIGHT: 175.05512
SMILES: C1=CC(=CC(=C1)CCl)CCl
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Product OPENEYE NAME: benzene-1,3-dicarbonitrile
CAS Name: benzene-1,3-dicarbonitrile
IUPAC NAME: benzene-1,3-dicarbonitrile
SYSTEMATIC NAME: benzene-1,3-dicarbonitrile
MOLECULAR FORMULA: C8H4N2
MOLECULAR WEIGHT: 128.13076
SMILES: C1=CC(=CC(=C1)C#N)C#N
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Product OPENEYE NAME: N-sec-butylbutan-2-amine
CAS Name: N-butan-2-yl-2-butanamine
IUPAC NAME: N-butan-2-ylbutan-2-amine
SYSTEMATIC NAME: N-butan-2-ylbutan-2-amine
MOLECULAR FORMULA: C8H19N
MOLECULAR WEIGHT: 129.24316
SMILES: CCC(C)NC(C)CC
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Product OPENEYE NAME: 1-methylbutyl acetate
CAS Name: acetic acid pentan-2-yl ester
IUPAC NAME: pentan-2-yl acetate
SYSTEMATIC NAME: pentan-2-yl ethanoate
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: CCCC(C)OC(=O)C
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Product OPENEYE NAME: 1,3,5-tribromobenzene
CAS Name: 1,3,5-tribromobenzene
IUPAC NAME: 1,3,5-tribromobenzene
SYSTEMATIC NAME: 1,3,5-tris(bromanyl)benzene
MOLECULAR FORMULA: C6H3Br3
MOLECULAR WEIGHT: 314.80002
SMILES: C1=C(C=C(C=C1Br)Br)Br
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Product OPENEYE NAME: 3,5-dibromophenol
CAS Name: 3,5-dibromophenol
IUPAC NAME: 3,5-dibromophenol
SYSTEMATIC NAME: 3,5-bis(bromanyl)phenol
MOLECULAR FORMULA: C6H4Br2O
MOLECULAR WEIGHT: 251.90336
SMILES: C1=C(C=C(C=C1Br)Br)O
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Product OPENEYE NAME: 3,5-dichloroaniline
CAS Name: 3,5-dichloroaniline
IUPAC NAME: 3,5-dichloroaniline
SYSTEMATIC NAME: 3,5-bis(chloranyl)aniline
MOLECULAR FORMULA: C6H5Cl2N
MOLECULAR WEIGHT: 162.0166
SMILES: C1=C(C=C(C=C1Cl)Cl)N
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Product OPENEYE NAME: 1,3,5-triiodobenzene
CAS Name: 1,3,5-triiodobenzene
IUPAC NAME: 1,3,5-triiodobenzene
SYSTEMATIC NAME: 1,3,5-tris(iodanyl)benzene
MOLECULAR FORMULA: C6H3I3
MOLECULAR WEIGHT: 455.80143
SMILES: C1=C(C=C(C=C1I)I)I
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Product OPENEYE NAME: 6-methyl-1H-pyrimidine-2,4-dione
CAS Name: 6-methyl-1H-pyrimidine-2,4-dione
IUPAC NAME: 6-methyl-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-methyl-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C5H6N2O2
MOLECULAR WEIGHT: 126.11334
SMILES: CC1=CC(=O)NC(=O)N1
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Product OPENEYE NAME: 3-methylpentanedioic acid
CAS Name: 3-methylpentanedioic acid
IUPAC NAME: 3-methylpentanedioic acid
SYSTEMATIC NAME: 3-methylpentanedioic acid
MOLECULAR FORMULA: C6H10O4
MOLECULAR WEIGHT: 146.1412
SMILES: CC(CC(=O)O)CC(=O)O
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Product OPENEYE NAME: heptane-2,4,6-trione
CAS Name: heptane-2,4,6-trione
IUPAC NAME: heptane-2,4,6-trione
SYSTEMATIC NAME: heptane-2,4,6-trione
MOLECULAR FORMULA: C7H10O3
MOLECULAR WEIGHT: 142.1525
SMILES: CC(=O)CC(=O)CC(=O)C
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