CAS RN: 482-23-5
CAS Name: (3Z)-3-(3-oxo-1-isobenzofuranylidene)-1-isobenzofuranone
OPENEYE Name: (3Z)-3-(3-oxoisobenzofuran-1-ylidene)isobenzofuran-1-one
IUPAC Name: (3Z)-3-(3-oxo-2-benzofuran-1-ylidene)-2-benzofuran-1-one
SYSTEMATIC NAME: (3Z)-3-(3-oxidanylidene-2-benzofuran-1-ylidene)-2-benzofuran-1-one
MOLECULAR FORMULA: C16H8O4
MOLECULAR WEIGHT: 264.23232
SMILES: C1=CC=C2C(=C1)/C(=C/3\C4=CC=CC=C4C(=O)O3)/OC2=O
Structure:
CAS RN: 19357-64-3
CAS Name: (3E)-3-(3-oxo-1-isobenzofuranylidene)-1-isobenzofuranone
OPENEYE Name: (3E)-3-(3-oxoisobenzofuran-1-ylidene)isobenzofuran-1-one
IUPAC Name: (3E)-3-(3-oxo-2-benzofuran-1-ylidene)-2-benzofuran-1-one
SYSTEMATIC NAME: (3E)-3-(3-oxidanylidene-2-benzofuran-1-ylidene)-2-benzofuran-1-one
MOLECULAR FORMULA: C16H8O4
MOLECULAR WEIGHT: 264.23232
SMILES: C1=CC=C2C(=C1)/C(=C\3/C4=CC=CC=C4C(=O)O3)/OC2=O
Structure:
CAS RN: 59213-02-4
CAS Name: 3-(3-formyl-1-indolyl)propanoic acid
OPENEYE Name: 3-(3-formylindol-1-yl)propanoic acid
IUPAC Name: 3-(3-formylindol-1-yl)propanoic acid
SYSTEMATIC NAME: 3-(3-methanoylindol-1-yl)propanoic acid
MOLECULAR FORMULA: C12H11NO3
MOLECULAR WEIGHT: 217.22064
SMILES: C1=CC=C2C(=C1)C(=CN2CCC(=O)O)C=O
Structure:
CAS RN: 105434-88-6
CAS Name: 5-fluoro-1-(4-methoxyphenyl)sulfonylpyrimidine-2,4-dione
OPENEYE Name: 5-fluoro-1-(4-methoxyphenyl)sulfonyl-pyrimidine-2,4-dione
IUPAC Name: 5-fluoro-1-(4-methoxyphenyl)sulfonylpyrimidine-2,4-dione
SYSTEMATIC NAME: 5-fluoranyl-1-(4-methoxyphenyl)sulfonyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H9FN2O5S
MOLECULAR WEIGHT: 300.262963
SMILES: COC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)NC2=O)F
Structure:
CAS RN: 168280-54-4
CAS Name: 3-amino-2-anilino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 3-amino-2-anilino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one
IUPAC Name: 3-amino-2-anilino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 3-azanyl-2-phenylazanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C16H16N4OS
MOLECULAR WEIGHT: 312.38944
SMILES: C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)N)NC4=CC=CC=C4
Structure:
CAS RN: 5584-42-9
CAS Name: 3,6-dichloro-1-nitro-9H-carbazole
OPENEYE Name: 3,6-dichloro-1-nitro-9H-carbazole
IUPAC Name: 3,6-dichloro-1-nitro-9H-carbazole
SYSTEMATIC NAME: 3,6-bis(chloranyl)-1-nitro-9H-carbazole
MOLECULAR FORMULA: C12H6Cl2N2O2
MOLECULAR WEIGHT: 281.09424
SMILES: C1=CC2=C(C=C1Cl)C3=CC(=CC(=C3N2)[N+](=O)[O-])Cl
Structure:
CAS RN: 5079-90-3
CAS Name: 2-[(E)-2-phenylethenyl]benzoic acid
OPENEYE Name: 2-[(E)-styryl]benzoic acid
IUPAC Name: 2-[(E)-2-phenylethenyl]benzoic acid
SYSTEMATIC NAME: 2-[(E)-2-phenylethenyl]benzoic acid
MOLECULAR FORMULA: C15H12O2
MOLECULAR WEIGHT: 224.25458
SMILES: C1=CC=C(C=C1)/C=C/C2=CC=CC=C2C(=O)O
Structure:
CAS RN: 5835-61-0
CAS Name: 2-amino-5-[(4-ethoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
OPENEYE Name: 2-amino-5-[(4-ethoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
IUPAC Name: 2-amino-5-[(4-ethoxyphenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
SYSTEMATIC NAME: 2-azanyl-5-[(4-ethoxyphenyl)methyl]-4-oxidanyl-1H-pyrimidin-6-one
MOLECULAR FORMULA: C13H15N3O3
MOLECULAR WEIGHT: 261.2765
SMILES: CCOC1=CC=C(C=C1)CC2=C(N=C(NC2=O)N)O
Structure:
CAS RN: 607-45-4
CAS Name: 5-nitro-2-naphthalenol
OPENEYE Name: 5-nitronaphthalen-2-ol
IUPAC Name: 5-nitronaphthalen-2-ol
SYSTEMATIC NAME: 5-nitronaphthalen-2-ol
MOLECULAR FORMULA: C10H7NO3
MOLECULAR WEIGHT: 189.16748
SMILES: C1=CC2=C(C=CC(=C2)O)C(=C1)[N+](=O)[O-]
Structure:
CAS RN: 5549-22-4
CAS Name: 2-fluoro-N-[1-(phenylmethyl)-4-piperidinyl]benzamide
OPENEYE Name: N-(1-benzyl-4-piperidyl)-2-fluoro-benzamide
IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-fluorobenzamide
SYSTEMATIC NAME: 2-fluoranyl-N-[1-(phenylmethyl)piperidin-4-yl]benzamide
MOLECULAR FORMULA: C19H21FN2O
MOLECULAR WEIGHT: 312.381243
SMILES: C1CN(CCC1NC(=O)C2=CC=CC=C2F)CC3=CC=CC=C3
Structure:
CAS RN: 100445-54-3
CAS Name: 3-(2,3-dichloroanilino)-5,5-dimethyl-1-cyclohex-2-enone
OPENEYE Name: 3-(2,3-dichloroanilino)-5,5-dimethyl-cyclohex-2-en-1-one
IUPAC Name: 3-(2,3-dichloroanilino)-5,5-dimethylcyclohex-2-en-1-one
SYSTEMATIC NAME: 3-[[2,3-bis(chloranyl)phenyl]amino]-5,5-dimethyl-cyclohex-2-en-1-one
MOLECULAR FORMULA: C14H15Cl2NO
MOLECULAR WEIGHT: 284.181
SMILES: CC1(CC(=CC(=O)C1)NC2=C(C(=CC=C2)Cl)Cl)C
Structure:
CAS RN: 5667-25-4
CAS Name: 4-[(5-nitro-2-furanyl)methylidene]-2-phenyl-5-oxazolone
OPENEYE Name: 4-[(5-nitro-2-furyl)methylene]-2-phenyl-oxazol-5-one
IUPAC Name: 4-[(5-nitrofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
SYSTEMATIC NAME: 4-[(5-nitrofuran-2-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
MOLECULAR FORMULA: C14H8N2O5
MOLECULAR WEIGHT: 284.22372
SMILES: C1=CC=C(C=C1)C2=NC(=CC3=CC=C(O3)[N+](=O)[O-])C(=O)O2
Structure:
CAS RN: 37572-24-0
CAS Name: 3-amino-5-(4-methoxyphenyl)-2-thiophenecarboxylic acid ethyl ester
OPENEYE Name: ethyl 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylate
IUPAC Name: ethyl 3-amino-5-(4-methoxyphenyl)thiophene-2-carboxylate
SYSTEMATIC NAME: ethyl 3-azanyl-5-(4-methoxyphenyl)thiophene-2-carboxylate
MOLECULAR FORMULA: C14H15NO3S
MOLECULAR WEIGHT: 277.3388
SMILES: CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)N
Structure:
CAS RN: 24906-77-2
CAS Name: 4-(difluoromethylsulfonyl)aniline
OPENEYE Name: 4-(difluoromethylsulfonyl)aniline
IUPAC Name: 4-(difluoromethylsulfonyl)aniline
SYSTEMATIC NAME: 4-[bis(fluoranyl)methylsulfonyl]aniline
MOLECULAR FORMULA: C7H7F2NO2S
MOLECULAR WEIGHT: 207.197786
SMILES: C1=CC(=CC=C1N)S(=O)(=O)C(F)F
Structure:
CAS RN: 380634-80-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H13NO3
MOLECULAR WEIGHT: 267.27932
SMILES: CC1=CC(=O)OC2=C1C(=O)N3CCCC4=CC=CC2=C43
Structure:
CAS RN: 102249-22-9
CAS Name: 3,3,6,8-tetrachloro-7-methoxy-1H-quinoline-2,4-dione
OPENEYE Name: 3,3,6,8-tetrachloro-7-methoxy-1H-quinoline-2,4-dione
IUPAC Name: 3,3,6,8-tetrachloro-7-methoxy-1H-quinoline-2,4-dione
SYSTEMATIC NAME: 3,3,6,8-tetrakis(chloranyl)-7-methoxy-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C10H5Cl4NO3
MOLECULAR WEIGHT: 328.9636
SMILES: COC1=C(C=C2C(=C1Cl)NC(=O)C(C2=O)(Cl)Cl)Cl
Structure:
CAS RN: 6426-57-9
CAS Name: 1-(3-chlorophenyl)-2-hydroxy-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione
OPENEYE Name: 1-(3-chlorophenyl)-2-hydroxy-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione
IUPAC Name: 1-(3-chlorophenyl)-2-hydroxy-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione
SYSTEMATIC NAME: 1-(3-chlorophenyl)-7,7-dimethyl-2-oxidanyl-6,8-dihydroquinoline-4,5-dione
MOLECULAR FORMULA: C17H16ClNO3
MOLECULAR WEIGHT: 317.76684
SMILES: CC1(CC2=C(C(=O)C1)C(=O)C=C(N2C3=CC(=CC=C3)Cl)O)C
Structure:
CAS RN: 58013-72-2
CAS Name: (3S)-3-chloro-3-(phenylmethyl)-1H-quinoline-2,4-dione
OPENEYE Name: (3S)-3-benzyl-3-chloro-1H-quinoline-2,4-dione
IUPAC Name: (3S)-3-benzyl-3-chloro-1H-quinoline-2,4-dione
SYSTEMATIC NAME: (3S)-3-chloranyl-3-(phenylmethyl)-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C16H12ClNO2
MOLECULAR WEIGHT: 285.72498
SMILES: C1=CC=C(C=C1)C[C@@]2(C(=O)C3=CC=CC=C3NC2=O)Cl
Structure:
CAS RN: 6426-53-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H21NO2
MOLECULAR WEIGHT: 319.39694
SMILES: CC1=CC(=C(C(=C1)C)C2=C(N3CCCC4=CC=CC(=C43)C2=O)O)C
Structure:
CAS RN: 5587-37-1
CAS Name: 1-amino-3-(2,1,3-benzothiadiazol-4-yl)urea
OPENEYE Name: 1-amino-3-(2,1,3-benzothiadiazol-4-yl)urea
IUPAC Name: 1-amino-3-(2,1,3-benzothiadiazol-4-yl)urea
SYSTEMATIC NAME: 1-azanyl-3-(2,1,3-benzothiadiazol-4-yl)urea
MOLECULAR FORMULA: C7H7N5OS
MOLECULAR WEIGHT: 209.22838
SMILES: C1=CC2=NSN=C2C(=C1)NC(=O)NN
Structure:
CAS RN: 144603-34-9
CAS Name: (3R)-3-chloro-1-ethyl-3-phenylquinoline-2,4-dione
OPENEYE Name: (3R)-3-chloro-1-ethyl-3-phenyl-quinoline-2,4-dione
IUPAC Name: (3R)-3-chloro-1-ethyl-3-phenylquinoline-2,4-dione
SYSTEMATIC NAME: (3R)-3-chloranyl-1-ethyl-3-phenyl-quinoline-2,4-dione
MOLECULAR FORMULA: C17H14ClNO2
MOLECULAR WEIGHT: 299.75156
SMILES: CCN1C2=CC=CC=C2C(=O)[C@@](C1=O)(C3=CC=CC=C3)Cl
Structure:
CAS RN: 144603-34-9
CAS Name: (3S)-3-chloro-1-ethyl-3-phenylquinoline-2,4-dione
OPENEYE Name: (3S)-3-chloro-1-ethyl-3-phenyl-quinoline-2,4-dione
IUPAC Name: (3S)-3-chloro-1-ethyl-3-phenylquinoline-2,4-dione
SYSTEMATIC NAME: (3S)-3-chloranyl-1-ethyl-3-phenyl-quinoline-2,4-dione
MOLECULAR FORMULA: C17H14ClNO2
MOLECULAR WEIGHT: 299.75156
SMILES: CCN1C2=CC=CC=C2C(=O)[C@](C1=O)(C3=CC=CC=C3)Cl
Structure:
CAS RN: 380632-35-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H16N2O3
MOLECULAR WEIGHT: 272.29914
SMILES: CN(C)C(=O)OC1=CC(=O)N2CCCC3=CC=CC1=C32
Structure:
CAS RN: 778-61-0
CAS Name: 3,3-dichloro-6-fluoro-1H-quinoline-2,4-dione
OPENEYE Name: 3,3-dichloro-6-fluoro-1H-quinoline-2,4-dione
IUPAC Name: 3,3-dichloro-6-fluoro-1H-quinoline-2,4-dione
SYSTEMATIC NAME: 3,3-bis(chloranyl)-6-fluoranyl-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C9H4Cl2FNO2
MOLECULAR WEIGHT: 248.037963
SMILES: C1=CC2=C(C=C1F)C(=O)C(C(=O)N2)(Cl)Cl
Structure:
CAS RN: 380631-20-9
CAS Name: N,N-diethylcarbamic acid (1-methyl-2-oxo-4-quinolinyl) ester
OPENEYE Name: (1-methyl-2-oxo-4-quinolyl) N,N-diethylcarbamate
IUPAC Name: (1-methyl-2-oxoquinolin-4-yl) N,N-diethylcarbamate
SYSTEMATIC NAME: (1-methyl-2-oxidanylidene-quinolin-4-yl) N,N-diethylcarbamate
MOLECULAR FORMULA: C15H18N2O3
MOLECULAR WEIGHT: 274.31502
SMILES: CCN(CC)C(=O)OC1=CC(=O)N(C2=CC=CC=C21)C
Structure:
CAS RN: 90475-69-7
CAS Name: 3,3-dichloro-8-methoxy-1H-quinoline-2,4-dione
OPENEYE Name: 3,3-dichloro-8-methoxy-1H-quinoline-2,4-dione
IUPAC Name: 3,3-dichloro-8-methoxy-1H-quinoline-2,4-dione
SYSTEMATIC NAME: 3,3-bis(chloranyl)-8-methoxy-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C10H7Cl2NO3
MOLECULAR WEIGHT: 260.07348
SMILES: COC1=CC=CC2=C1NC(=O)C(C2=O)(Cl)Cl
Structure:
CAS RN: 141945-60-0
CAS Name: 4-methoxy-3-nitro-1-phenyl-2-quinolinone
OPENEYE Name: 4-methoxy-3-nitro-1-phenyl-quinolin-2-one
IUPAC Name: 4-methoxy-3-nitro-1-phenylquinolin-2-one
SYSTEMATIC NAME: 4-methoxy-3-nitro-1-phenyl-quinolin-2-one
MOLECULAR FORMULA: C16H12N2O4
MOLECULAR WEIGHT: 296.27748
SMILES: COC1=C(C(=O)N(C2=CC=CC=C21)C3=CC=CC=C3)[N+](=O)[O-]
Structure:
CAS RN: 94815-68-6
CAS Name: 6-methyl-5-prop-2-enyl-1H-pyrimidine-2,4-dione
OPENEYE Name: 5-allyl-6-methyl-1H-pyrimidine-2,4-dione
IUPAC Name: 6-methyl-5-prop-2-enyl-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-methyl-5-prop-2-enyl-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C8H10N2O2
MOLECULAR WEIGHT: 166.1772
SMILES: CC1=C(C(=O)NC(=O)N1)CC=C
Structure:
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