Product OPENEYE NAME: 2-nitro-1H-imidazole
CAS Name: 2-nitro-1H-imidazole
IUPAC NAME: 2-nitro-1H-imidazole
SYSTEMATIC NAME: 2-nitro-1H-imidazole
MOLECULAR FORMULA: C3H3N3O2
MOLECULAR WEIGHT: 113.07482
SMILES: C1=CN=C(N1)[N+](=O)[O-]
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Product OPENEYE NAME: (3R,4S,6R,7R,9R,11R,12S,13R,14R)-6-[4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-7,12-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
CAS Name: (3R,4S,6R,7R,9R,11R,12S,13R,14R)-6-[[4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-7,12-dihydroxy-4-[(5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl)oxy]-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
IUPAC NAME: (3R,4S,6R,7R,9R,11R,12S,13R,14R)-6-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12-dihydroxy-4-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
SYSTEMATIC NAME: (3R,4S,6R,7R,9R,11R,12S,13R,14R)-6-[4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-4-(4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl)oxy-3,5,7,9,11,13-hexamethyl-7,12-bis(oxidanyl)-1-oxacyclotetradecane-2,10-dione
MOLECULAR FORMULA: C37H67NO12
MOLECULAR WEIGHT: 717.92738
SMILES: CC[C@@H]1[C@@H]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H](C([C@@H]([C@H](C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)C
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Product OPENEYE NAME: 1-isopropyl-2-methyl-benzene
CAS Name: 1-methyl-2-propan-2-ylbenzene
IUPAC NAME: 1-methyl-2-propan-2-ylbenzene
SYSTEMATIC NAME: 1-methyl-2-propan-2-yl-benzene
MOLECULAR FORMULA: C10H14
MOLECULAR WEIGHT: 134.21816
SMILES: CC1=CC=CC=C1C(C)C
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Product OPENEYE NAME: 2-methylbenzamide
CAS Name: 2-methylbenzamide
IUPAC NAME: 2-methylbenzamide
SYSTEMATIC NAME: 2-methylbenzamide
MOLECULAR FORMULA: C8H9NO
MOLECULAR WEIGHT: 135.16316
SMILES: CC1=CC=CC=C1C(=O)N
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Product OPENEYE NAME: [(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
CAS Name: [(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl] [[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]methoxy-hydroxyphosphoryl] hydrogen phosphate
IUPAC NAME: [(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate
SYSTEMATIC NAME: [(2S,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate
MOLECULAR FORMULA: C17H27N3O17P2
MOLECULAR WEIGHT: 607.353702
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O
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Product OPENEYE NAME: 1-(2,3,4-trihydroxyphenyl)ethanone
CAS Name: 1-(2,3,4-trihydroxyphenyl)ethanone
IUPAC NAME: 1-(2,3,4-trihydroxyphenyl)ethanone
SYSTEMATIC NAME: 1-[2,3,4-tris(oxidanyl)phenyl]ethanone
MOLECULAR FORMULA: C8H8O4
MOLECULAR WEIGHT: 168.14672
SMILES: CC(=O)C1=C(C(=C(C=C1)O)O)O
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Product OPENEYE NAME: 1,2-dinitrobenzene
CAS Name: 1,2-dinitrobenzene
IUPAC NAME: 1,2-dinitrobenzene
SYSTEMATIC NAME: 1,2-dinitrobenzene
MOLECULAR FORMULA: C6H4N2O4
MOLECULAR WEIGHT: 168.10696
SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: benzene-1,2,4-tricarboxylic acid
CAS Name: benzene-1,2,4-tricarboxylic acid
IUPAC NAME: benzene-1,2,4-tricarboxylic acid
SYSTEMATIC NAME: benzene-1,2,4-tricarboxylic acid
MOLECULAR FORMULA: C9H6O6
MOLECULAR WEIGHT: 210.14034
SMILES: C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O
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Product OPENEYE NAME: 3,4-dinitrobenzoic acid
CAS Name: 3,4-dinitrobenzoic acid
IUPAC NAME: 3,4-dinitrobenzoic acid
SYSTEMATIC NAME: 3,4-dinitrobenzoic acid
MOLECULAR FORMULA: C7H4N2O6
MOLECULAR WEIGHT: 212.11646
SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 2-oxalobenzoic acid
CAS Name: 2-oxalobenzoic acid
IUPAC NAME: 2-oxalobenzoic acid
SYSTEMATIC NAME: 2-(carboxycarbonyl)benzoic acid
MOLECULAR FORMULA: C9H6O5
MOLECULAR WEIGHT: 194.14094
SMILES: C1=CC=C(C(=C1)C(=O)C(=O)O)C(=O)O
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Product OPENEYE NAME: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3,4,5-triol
CAS Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]oxane-3,4,5-triol
IUPAC NAME: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]oxy-oxane-3,4,5-triol
MOLECULAR FORMULA: C12H22O11
MOLECULAR WEIGHT: 342.29648
SMILES: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O)CO)O)O)O)O
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Product OPENEYE NAME: (2S)-2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
CAS Name: (2S)-2-[[[3,5-dichloro-4-[(2,4-diamino-6-pteridinyl)methyl-methylamino]phenyl]-oxomethyl]amino]pentanedioic acid
IUPAC NAME: (2S)-2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
SYSTEMATIC NAME: (2S)-2-[[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-methyl-amino]-3,5-bis(chloranyl)phenyl]carbonylamino]pentanedioic acid
MOLECULAR FORMULA: C20H20Cl2N8O5
MOLECULAR WEIGHT: 523.3294
SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3Cl)C(=O)N[C@@H](CCC(=O)O)C(=O)O)Cl
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Product OPENEYE NAME: 2,4,5-trimethylbenzoic acid
CAS Name: 2,4,5-trimethylbenzoic acid
IUPAC NAME: 2,4,5-trimethylbenzoic acid
SYSTEMATIC NAME: 2,4,5-trimethylbenzoic acid
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: CC1=CC(=C(C=C1C(=O)O)C)C
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Product OPENEYE NAME: N-carbamoyl-2-isopropyl-pent-4-enamide
CAS Name: N-carbamoyl-2-propan-2-yl-4-pentenamide
IUPAC NAME: N-carbamoyl-2-propan-2-ylpent-4-enamide
SYSTEMATIC NAME: N-aminocarbonyl-2-propan-2-yl-pent-4-enamide
MOLECULAR FORMULA: C9H16N2O2
MOLECULAR WEIGHT: 184.23554
SMILES: CC(C)C(CC=C)C(=O)NC(=O)N
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Product OPENEYE NAME: ammonia; 2-hydroxybenzoic acid
CAS Name: ammonia; 2-hydroxybenzoic acid
IUPAC NAME: azane; 2-hydroxybenzoic acid
SYSTEMATIC NAME: azane; 2-oxidanylbenzoic acid
MOLECULAR FORMULA: C7H9NO3
MOLECULAR WEIGHT: 155.15126
SMILES: C1=CC=C(C(=C1)C(=O)O)O.N
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Product OPENEYE NAME: calcium 4-benzamido-2-hydroxy-benzoate
CAS Name: calcium 4-benzamido-2-hydroxybenzoate
IUPAC NAME: calcium 4-benzamido-2-hydroxybenzoate
SYSTEMATIC NAME: calcium 4-benzamido-2-oxidanyl-benzoate
MOLECULAR FORMULA: C28H20CaN2O8
MOLECULAR WEIGHT: 552.545
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)[O-])O.C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)[O-])O.[Ca+2]
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Product OPENEYE NAME: 4-benzamido-2-hydroxy-benzoic acid
CAS Name: 4-benzamido-2-hydroxybenzoic acid
IUPAC NAME: 4-benzamido-2-hydroxybenzoic acid
SYSTEMATIC NAME: 4-benzamido-2-oxidanyl-benzoic acid
MOLECULAR FORMULA: C14H11NO4
MOLECULAR WEIGHT: 257.24144
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)C(=O)O)O
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Product OPENEYE NAME: 7-ethyl-1,4-dimethyl-azulene
CAS Name: 7-ethyl-1,4-dimethylazulene
IUPAC NAME: 7-ethyl-1,4-dimethylazulene
SYSTEMATIC NAME: 7-ethyl-1,4-dimethyl-azulene
MOLECULAR FORMULA: C14H16
MOLECULAR WEIGHT: 184.27684
SMILES: CCC1=CC2=C(C=CC2=C(C=C1)C)C
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Product OPENEYE NAME: 2,3-dimethylbicyclo[2.2.1]hept-2-ene
CAS Name: 2,3-dimethylbicyclo[2.2.1]hept-2-ene
IUPAC NAME: 2,3-dimethylbicyclo[2.2.1]hept-2-ene
SYSTEMATIC NAME: 2,3-dimethylbicyclo[2.2.1]hept-2-ene
MOLECULAR FORMULA: C9H14
MOLECULAR WEIGHT: 122.20746
SMILES: CC1=C(C2CCC1C2)C
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Product OPENEYE NAME: 2-methylbenzonitrile
CAS Name: 2-methylbenzonitrile
IUPAC NAME: 2-methylbenzonitrile
SYSTEMATIC NAME: 2-methylbenzenecarbonitrile
MOLECULAR FORMULA: C8H7N
MOLECULAR WEIGHT: 117.14788
SMILES: CC1=CC=CC=C1C#N
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Product OPENEYE NAME: 2-methylbenzaldehyde
CAS Name: 2-methylbenzaldehyde
IUPAC NAME: 2-methylbenzaldehyde
SYSTEMATIC NAME: 2-methylbenzaldehyde
MOLECULAR FORMULA: C8H8O
MOLECULAR WEIGHT: 120.14852
SMILES: CC1=CC=CC=C1C=O
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Product OPENEYE NAME: tetralin-1-ol
CAS Name: 1,2,3,4-tetrahydronaphthalen-1-ol
IUPAC NAME: 1,2,3,4-tetrahydronaphthalen-1-ol
SYSTEMATIC NAME: 1,2,3,4-tetrahydronaphthalen-1-ol
MOLECULAR FORMULA: C10H12O
MOLECULAR WEIGHT: 148.20168
SMILES: C1CC(C2=CC=CC=C2C1)O
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