Product OPENEYE NAME: 3-(4-bromophenyl)-5-phenyl-1,3,4-thiadiazol-3-ium
CAS Name: 3-(4-bromophenyl)-5-phenyl-1,3,4-thiadiazol-3-ium
IUPAC NAME: 3-(4-bromophenyl)-5-phenyl-1,3,4-thiadiazol-3-ium
SYSTEMATIC NAME: 3-(4-bromophenyl)-5-phenyl-1,3,4-thiadiazol-3-ium
MOLECULAR FORMULA: C14H10BrN2S+
MOLECULAR WEIGHT: 318.2116
SMILES: C1=CC=C(C=C1)C2=N[N+](=CS2)C3=CC=C(C=C3)Br
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Product OPENEYE NAME: 5-(4-methoxyphenyl)-3-phenyl-1,3,4-thiadiazol-3-ium
CAS Name: 5-(4-methoxyphenyl)-3-phenyl-1,3,4-thiadiazol-3-ium
IUPAC NAME: 5-(4-methoxyphenyl)-3-phenyl-1,3,4-thiadiazol-3-ium
SYSTEMATIC NAME: 5-(4-methoxyphenyl)-3-phenyl-1,3,4-thiadiazol-3-ium
MOLECULAR FORMULA: C15H13N2OS+
MOLECULAR WEIGHT: 269.34152
SMILES: COC1=CC=C(C=C1)C2=N[N+](=CS2)C3=CC=CC=C3
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Product OPENEYE NAME: (2Z)-2-[ethoxy(hydroxy)methylene]-1-methyl-indolin-3-one
CAS Name: (2Z)-2-[ethoxy(hydroxy)methylidene]-1-methyl-3-indolone
IUPAC NAME: (2Z)-2-[ethoxy(hydroxy)methylidene]-1-methylindol-3-one
SYSTEMATIC NAME: (2Z)-2-[ethoxy(oxidanyl)methylidene]-1-methyl-indol-3-one
MOLECULAR FORMULA: C12H13NO3
MOLECULAR WEIGHT: 219.23652
SMILES: CCO/C(=C\1/C(=O)C2=CC=CC=C2N1C)/O
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Product OPENEYE NAME: ethyl 3-(2-ethoxy-2-oxo-ethoxy)-1-methyl-indole-2-carboxylate
CAS Name: 3-(2-ethoxy-2-oxoethoxy)-1-methyl-2-indolecarboxylic acid ethyl ester
IUPAC NAME: ethyl 3-(2-ethoxy-2-oxoethoxy)-1-methylindole-2-carboxylate
SYSTEMATIC NAME: ethyl 3-(2-ethoxy-2-oxidanylidene-ethoxy)-1-methyl-indole-2-carboxylate
MOLECULAR FORMULA: C16H19NO5
MOLECULAR WEIGHT: 305.32576
SMILES: CCOC(=O)COC1=C(N(C2=CC=CC=C21)C)C(=O)OCC
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Product OPENEYE NAME: (2E)-2-[ethoxy(hydroxy)methylene]-4-methyl-furo[3,2-b]indol-3-one
CAS Name: (2E)-2-[ethoxy(hydroxy)methylidene]-4-methyl-3-furo[3,2-b]indolone
IUPAC NAME: (2E)-2-[ethoxy(hydroxy)methylidene]-4-methylfuro[3,2-b]indol-3-one
SYSTEMATIC NAME: (2E)-2-[ethoxy(oxidanyl)methylidene]-4-methyl-furo[3,2-b]indol-3-one
MOLECULAR FORMULA: C14H13NO4
MOLECULAR WEIGHT: 259.25732
SMILES: CCO/C(=C/1\C(=O)C2=C(O1)C3=CC=CC=C3N2C)/O
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Product OPENEYE NAME: methyl 3-oxo-4-phenyl-furo[3,2-b]indole-2-carboxylate
CAS Name: 3-oxo-4-phenyl-2-furo[3,2-b]indolecarboxylic acid methyl ester
IUPAC NAME: methyl 3-oxo-4-phenylfuro[3,2-b]indole-2-carboxylate
SYSTEMATIC NAME: methyl 3-oxidanylidene-4-phenyl-furo[3,2-b]indole-2-carboxylate
MOLECULAR FORMULA: C18H13NO4
MOLECULAR WEIGHT: 307.30012
SMILES: COC(=O)C1C(=O)C2=C(O1)C3=CC=CC=C3N2C4=CC=CC=C4
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Product OPENEYE NAME: methyl 7-methoxy-3-oxo-4-phenyl-furo[3,2-b]indole-2-carboxylate
CAS Name: 7-methoxy-3-oxo-4-phenyl-2-furo[3,2-b]indolecarboxylic acid methyl ester
IUPAC NAME: methyl 7-methoxy-3-oxo-4-phenylfuro[3,2-b]indole-2-carboxylate
SYSTEMATIC NAME: methyl 7-methoxy-3-oxidanylidene-4-phenyl-furo[3,2-b]indole-2-carboxylate
MOLECULAR FORMULA: C19H15NO5
MOLECULAR WEIGHT: 337.3261
SMILES: COC1=CC2=C(C=C1)N(C3=C2OC(C3=O)C(=O)OC)C4=CC=CC=C4
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Product OPENEYE NAME: (2Z)-2-[amino(hydroxy)methylene]-4-methyl-furo[3,2-b]indol-3-one
CAS Name: (2Z)-2-[amino(hydroxy)methylidene]-4-methyl-3-furo[3,2-b]indolone
IUPAC NAME: (2Z)-2-[amino(hydroxy)methylidene]-4-methylfuro[3,2-b]indol-3-one
SYSTEMATIC NAME: (2Z)-2-[azanyl(oxidanyl)methylidene]-4-methyl-furo[3,2-b]indol-3-one
MOLECULAR FORMULA: C12H10N2O3
MOLECULAR WEIGHT: 230.2194
SMILES: CN1C2=CC=CC=C2C3=C1C(=O)/C(=C(\N)/O)/O3
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Product OPENEYE NAME: 1,5,5-trimethyl-2-(3,4,5-trimethoxyphenyl)piperidin-4-one
CAS Name: 1,5,5-trimethyl-2-(3,4,5-trimethoxyphenyl)-4-piperidinone
IUPAC NAME: 1,5,5-trimethyl-2-(3,4,5-trimethoxyphenyl)piperidin-4-one
SYSTEMATIC NAME: 1,5,5-trimethyl-2-(3,4,5-trimethoxyphenyl)piperidin-4-one
MOLECULAR FORMULA: C17H25NO4
MOLECULAR WEIGHT: 307.3847
SMILES: CC1(CN(C(CC1=O)C2=CC(=C(C(=C2)OC)OC)OC)C)C
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Product OPENEYE NAME: (2R,3S)-2-nitro-2,3-dihydrofuro[3,2-b]pyridin-3-ol
CAS Name: (2R,3S)-2-nitro-2,3-dihydrofuro[3,2-b]pyridin-3-ol
IUPAC NAME: (2R,3S)-2-nitro-2,3-dihydrofuro[3,2-b]pyridin-3-ol
SYSTEMATIC NAME: (2R,3S)-2-nitro-2,3-dihydrofuro[3,2-b]pyridin-3-ol
MOLECULAR FORMULA: C7H6N2O4
MOLECULAR WEIGHT: 182.13354
SMILES: C1=CC2=C([C@@H]([C@@H](O2)[N+](=O)[O-])O)N=C1
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Product OPENEYE NAME: (4E)-4-[chloro-(hydroxyamino)methylene]pyridin-3-one
CAS Name: (4E)-4-[chloro-(hydroxyamino)methylidene]-3-pyridinone
IUPAC NAME: (4E)-4-[chloro-(hydroxyamino)methylidene]pyridin-3-one
SYSTEMATIC NAME: (4E)-4-[chloranyl-(oxidanylamino)methylidene]pyridin-3-one
MOLECULAR FORMULA: C6H5ClN2O2
MOLECULAR WEIGHT: 172.5691
SMILES: C\1=CN=CC(=O)/C1=C(\NO)/Cl
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Product OPENEYE NAME: [(2R,3S)-2-nitro-2,3-dihydrofuro[3,2-c]pyridin-3-yl] nitrate
CAS Name: nitric acid [(2R,3S)-2-nitro-2,3-dihydrofuro[3,2-c]pyridin-3-yl] ester
IUPAC NAME: [(2R,3S)-2-nitro-2,3-dihydrofuro[3,2-c]pyridin-3-yl] nitrate
SYSTEMATIC NAME: [(2R,3S)-2-nitro-2,3-dihydrofuro[3,2-c]pyridin-3-yl] nitrate
MOLECULAR FORMULA: C7H5N3O6
MOLECULAR WEIGHT: 227.1311
SMILES: C1=CN=CC2=C1O[C@H]([C@H]2O[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: (2S,3R)-2,3-dibromo-2-deuterio-3H-furo[2,3-b]pyridine
CAS Name: (2S,3R)-2,3-dibromo-2-deuterio-3H-furo[2,3-b]pyridine
IUPAC NAME: (2S,3R)-2,3-dibromo-2-deuterio-3H-furo[2,3-b]pyridine
SYSTEMATIC NAME: (2S,3R)-2,3-bis(bromanyl)-2-deuterio-3H-furo[2,3-b]pyridine
MOLECULAR FORMULA: C7H5Br2NO
MOLECULAR WEIGHT: 279.934862
SMILES: [2H][C@@]1([C@@H](C2=C(O1)N=CC=C2)Br)Br
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Product OPENEYE NAME: 3,9-dimethoxy-5H-benzofuro[3,2-c]quinolin-6-one
CAS Name: 3,9-dimethoxy-5H-benzofuro[3,2-c]quinolin-6-one
IUPAC NAME: 3,9-dimethoxy-5H-[1]benzofuro[3,2-c]quinolin-6-one
SYSTEMATIC NAME: 3,9-dimethoxy-5H-[1]benzofuro[3,2-c]quinolin-6-one
MOLECULAR FORMULA: C17H13NO4
MOLECULAR WEIGHT: 295.28942
SMILES: COC1=CC2=C(C=C1)C3=C(C4=C(O3)C=C(C=C4)OC)C(=O)N2
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Product OPENEYE NAME: 3,8-dimethoxy-6-methyl-benzofuro[2,3-b]quinolin-11-one
CAS Name: 3,8-dimethoxy-6-methyl-11-benzofuro[2,3-b]quinolinone
IUPAC NAME: 3,8-dimethoxy-6-methyl-[1]benzofuro[2,3-b]quinolin-11-one
SYSTEMATIC NAME: 3,8-dimethoxy-6-methyl-[1]benzofuro[2,3-b]quinolin-11-one
MOLECULAR FORMULA: C18H15NO4
MOLECULAR WEIGHT: 309.316
SMILES: CN1C2=C(C=CC(=C2)OC)C(=O)C3=C1OC4=C3C=CC(=C4)OC
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Product OPENEYE NAME: 3-oxo-2-(1H-pyridin-4-ylidene)pentanenitrile
CAS Name: 3-oxo-2-(1H-pyridin-4-ylidene)pentanenitrile
IUPAC NAME: 3-oxo-2-(1H-pyridin-4-ylidene)pentanenitrile
SYSTEMATIC NAME: 3-oxidanylidene-2-(1H-pyridin-4-ylidene)pentanenitrile
MOLECULAR FORMULA: C10H10N2O
MOLECULAR WEIGHT: 174.1992
SMILES: CCC(=O)C(=C1C=CNC=C1)C#N
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Product OPENEYE NAME: 2-(1-methyl-4-pyridylidene)-3-oxo-butanenitrile
CAS Name: 2-(1-methyl-4-pyridinylidene)-3-oxobutanenitrile
IUPAC NAME: 2-(1-methylpyridin-4-ylidene)-3-oxobutanenitrile
SYSTEMATIC NAME: 2-(1-methylpyridin-4-ylidene)-3-oxidanylidene-butanenitrile
MOLECULAR FORMULA: C10H10N2O
MOLECULAR WEIGHT: 174.1992
SMILES: CC(=O)C(=C1C=CN(C=C1)C)C#N
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Product OPENEYE NAME: (Z)-3-ethoxy-2-(2-pyridyl)but-2-enenitrile
CAS Name: (Z)-3-ethoxy-2-(2-pyridinyl)-2-butenenitrile
IUPAC NAME: (Z)-3-ethoxy-2-pyridin-2-ylbut-2-enenitrile
SYSTEMATIC NAME: (Z)-3-ethoxy-2-pyridin-2-yl-but-2-enenitrile
MOLECULAR FORMULA: C11H12N2O
MOLECULAR WEIGHT: 188.22578
SMILES: CCO/C(=C(\C#N)/C1=CC=CC=N1)/C
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Product OPENEYE NAME: 8-(chloromethyl)-7-ethoxy-6-methoxy-2,2-dimethyl-chroman-4-one
CAS Name: 8-(chloromethyl)-7-ethoxy-6-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC NAME: 8-(chloromethyl)-7-ethoxy-6-methoxy-2,2-dimethyl-3H-chromen-4-one
SYSTEMATIC NAME: 8-(chloromethyl)-7-ethoxy-6-methoxy-2,2-dimethyl-3H-chromen-4-one
MOLECULAR FORMULA: C15H19ClO4
MOLECULAR WEIGHT: 298.76196
SMILES: CCOC1=C(C=C2C(=O)CC(OC2=C1CCl)(C)C)OC
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Product OPENEYE NAME: 8-(chloromethyl)-6,7-dimethoxy-2,2-dimethyl-chroman-4-one
CAS Name: 8-(chloromethyl)-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC NAME: 8-(chloromethyl)-6,7-dimethoxy-2,2-dimethyl-3H-chromen-4-one
SYSTEMATIC NAME: 8-(chloromethyl)-6,7-dimethoxy-2,2-dimethyl-3H-chromen-4-one
MOLECULAR FORMULA: C14H17ClO4
MOLECULAR WEIGHT: 284.73538
SMILES: CC1(CC(=O)C2=CC(=C(C(=C2O1)CCl)OC)OC)C
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Product OPENEYE NAME: 7-ethoxy-6-methoxy-8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2,2-dimethyl-chroman-4-one
CAS Name: 7-ethoxy-6-methoxy-8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one
IUPAC NAME: 7-ethoxy-6-methoxy-8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2,2-dimethyl-3H-chromen-4-one
SYSTEMATIC NAME: 7-ethoxy-6-methoxy-8-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-2,2-dimethyl-3H-chromen-4-one
MOLECULAR FORMULA: C22H34O8
MOLECULAR WEIGHT: 426.50056
SMILES: CCOC1=C(C=C2C(=O)CC(OC2=C1COCCOCCOCCOC)(C)C)OC
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