CAS RN: 465514-85-6
CAS Name: 1-(2-fluoro-5-nitrophenyl)-2,5-dimethylpyrrole
OPENEYE Name: 1-(2-fluoro-5-nitro-phenyl)-2,5-dimethyl-pyrrole
IUPAC Name: 1-(2-fluoro-5-nitrophenyl)-2,5-dimethylpyrrole
SYSTEMATIC NAME: 1-(2-fluoranyl-5-nitro-phenyl)-2,5-dimethyl-pyrrole
MOLECULAR FORMULA: C12H11FN2O2
MOLECULAR WEIGHT: 234.226343
SMILES: CC1=CC=C(N1C2=C(C=CC(=C2)[N+](=O)[O-])F)C
Structure:
CAS RN: 300664-74-8
CAS Name: 2-[(4-fluorophenyl)-oxomethyl]-5-benzofurancarboxaldehyde
OPENEYE Name: 2-(4-fluorobenzoyl)benzofuran-5-carbaldehyde
IUPAC Name: 2-(4-fluorobenzoyl)-1-benzofuran-5-carbaldehyde
SYSTEMATIC NAME: 2-(4-fluorophenyl)carbonyl-1-benzofuran-5-carbaldehyde
MOLECULAR FORMULA: C16H9FO3
MOLECULAR WEIGHT: 268.239263
SMILES: C1=CC(=CC=C1C(=O)C2=CC3=C(O2)C=CC(=C3)C=O)F
Structure:
CAS RN: 645-48-7
CAS Name: anilinothiourea
OPENEYE Name: anilinothiourea
IUPAC Name: anilinothiourea
SYSTEMATIC NAME: 1-phenylazanylthiourea
MOLECULAR FORMULA: C7H9N3S
MOLECULAR WEIGHT: 167.23146
SMILES: C1=CC=C(C=C1)NNC(=S)N
Structure:
CAS RN: 79110-05-7
CAS Name: 1-(2-fluoro-5-nitrophenyl)ethanone
OPENEYE Name: 1-(2-fluoro-5-nitro-phenyl)ethanone
IUPAC Name: 1-(2-fluoro-5-nitrophenyl)ethanone
SYSTEMATIC NAME: 1-(2-fluoranyl-5-nitro-phenyl)ethanone
MOLECULAR FORMULA: C8H6FNO3
MOLECULAR WEIGHT: 183.136543
SMILES: CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F
Structure:
CAS RN: 46155-70-8
CAS Name: 3,5-dibromo-2-hydroxybenzohydrazide
OPENEYE Name: 3,5-dibromo-2-hydroxy-benzohydrazide
IUPAC Name: 3,5-dibromo-2-hydroxybenzohydrazide
SYSTEMATIC NAME: 3,5-bis(bromanyl)-2-oxidanyl-benzohydrazide
MOLECULAR FORMULA: C7H6Br2N2O2
MOLECULAR WEIGHT: 309.94274
SMILES: C1=C(C=C(C(=C1Br)O)C(=O)NN)Br
Structure:
CAS RN: 110254-70-1
CAS Name: 4-chloro-1-phenyl-3-(phenylmethyl)-2-quinolinone
OPENEYE Name: 3-benzyl-4-chloro-1-phenyl-quinolin-2-one
IUPAC Name: 3-benzyl-4-chloro-1-phenylquinolin-2-one
SYSTEMATIC NAME: 4-chloranyl-1-phenyl-3-(phenylmethyl)quinolin-2-one
MOLECULAR FORMULA: C22H16ClNO
MOLECULAR WEIGHT: 345.82154
SMILES: C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)Cl
Structure:
CAS RN: 110254-69-8
CAS Name: 4-chloro-1-methyl-3-(phenylmethyl)-2-quinolinone
OPENEYE Name: 3-benzyl-4-chloro-1-methyl-quinolin-2-one
IUPAC Name: 3-benzyl-4-chloro-1-methylquinolin-2-one
SYSTEMATIC NAME: 4-chloranyl-1-methyl-3-(phenylmethyl)quinolin-2-one
MOLECULAR FORMULA: C17H14ClNO
MOLECULAR WEIGHT: 283.75216
SMILES: CN1C2=CC=CC=C2C(=C(C1=O)CC3=CC=CC=C3)Cl
Structure:
CAS RN: 13752-84-6
CAS Name: (2R,3R)-2,3,4-trihydroxybutanoic acid
OPENEYE Name: (2R,3R)-2,3,4-trihydroxybutanoic acid
IUPAC Name: (2R,3R)-2,3,4-trihydroxybutanoic acid
SYSTEMATIC NAME: (2R,3R)-2,3,4-tris(oxidanyl)butanoic acid
MOLECULAR FORMULA: C4H8O5
MOLECULAR WEIGHT: 136.10332
SMILES: C([C@H]([C@H](C(=O)O)O)O)O
Structure:
CAS RN: 277326-12-2
CAS Name: 9-chloro-7-(2,2-dichloro-1-oxoethyl)-6-hydroxy-10,10-dimethyl-8-pyrido[1,2-a]indolone
OPENEYE Name: 9-chloro-7-(2,2-dichloroacetyl)-6-hydroxy-10,10-dimethyl-pyrido[1,2-a]indol-8-one
IUPAC Name: 9-chloro-7-(2,2-dichloroacetyl)-6-hydroxy-10,10-dimethylpyrido[1,2-a]indol-8-one
SYSTEMATIC NAME: 7-[2,2-bis(chloranyl)ethanoyl]-9-chloranyl-10,10-dimethyl-6-oxidanyl-pyrido[1,2-a]indol-8-one
MOLECULAR FORMULA: C16H12Cl3NO3
MOLECULAR WEIGHT: 372.63038
SMILES: CC1(C2=CC=CC=C2N3C1=C(C(=O)C(=C3O)C(=O)C(Cl)Cl)Cl)C
Structure:
CAS RN: 175204-90-7
CAS Name: 6-(2,2,2-trifluoroethoxy)-3-pyridinecarboxylic acid
OPENEYE Name: 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid
IUPAC Name: 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylic acid
SYSTEMATIC NAME: 6-[2,2,2-tris(fluoranyl)ethoxy]pyridine-3-carboxylic acid
MOLECULAR FORMULA: C8H6F3NO3
MOLECULAR WEIGHT: 221.13335
SMILES: C1=CC(=NC=C1C(=O)O)OCC(F)(F)F
Structure:
CAS RN: 287198-14-5
CAS Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-(chloromethyl)-1,2,4-oxadiazole
OPENEYE Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-(chloromethyl)-1,2,4-oxadiazole
IUPAC Name: 5-[3,5-bis(trifluoromethyl)phenyl]-3-(chloromethyl)-1,2,4-oxadiazole
SYSTEMATIC NAME: 5-[3,5-bis(trifluoromethyl)phenyl]-3-(chloromethyl)-1,2,4-oxadiazole
MOLECULAR FORMULA: C11H5ClF6N2O
MOLECULAR WEIGHT: 330.613619
SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NC(=NO2)CCl
Structure:
CAS RN: 175204-42-9
CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarbothioamide
OPENEYE Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carbothioamide
IUPAC Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbothioamide
SYSTEMATIC NAME: 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazole-4-carbothioamide
MOLECULAR FORMULA: C11H8ClFN2OS
MOLECULAR WEIGHT: 270.710423
SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=S)N
Structure:
CAS RN: 279691-69-9
CAS Name: 3-(2,2-dichloro-1-oxoethyl)-2-hydroxy-1,6-diphenyl-4-pyridinone
OPENEYE Name: 3-(2,2-dichloroacetyl)-2-hydroxy-1,6-diphenyl-pyridin-4-one
IUPAC Name: 3-(2,2-dichloroacetyl)-2-hydroxy-1,6-diphenylpyridin-4-one
SYSTEMATIC NAME: 3-[2,2-bis(chloranyl)ethanoyl]-2-oxidanyl-1,6-diphenyl-pyridin-4-one
MOLECULAR FORMULA: C19H13Cl2NO3
MOLECULAR WEIGHT: 374.21742
SMILES: C1=CC=C(C=C1)C2=CC(=O)C(=C(N2C3=CC=CC=C3)O)C(=O)C(Cl)Cl
Structure:
CAS RN: 157027-34-4
CAS Name: 4-(2,4-dichloro-3-quinolinyl)morpholine
OPENEYE Name: 4-(2,4-dichloro-3-quinolyl)morpholine
IUPAC Name: 4-(2,4-dichloroquinolin-3-yl)morpholine
SYSTEMATIC NAME: 4-[2,4-bis(chloranyl)quinolin-3-yl]morpholine
MOLECULAR FORMULA: C13H12Cl2N2O
MOLECULAR WEIGHT: 283.15318
SMILES: C1COCCN1C2=C(C3=CC=CC=C3N=C2Cl)Cl
Structure:
CAS RN: 33398-79-7
CAS Name: 1-amino-2-methylguanidine hydroiodide
OPENEYE Name: 1-amino-2-methyl-guanidine hydroiodide
IUPAC Name: 1-amino-2-methylguanidine hydroiodide
SYSTEMATIC NAME: 1-azanyl-2-methyl-guanidine hydroiodide
MOLECULAR FORMULA: C2H9IN4
MOLECULAR WEIGHT: 216.02413
SMILES: CN=C(N)NN.I
Structure:
CAS RN: 24848-20-2
CAS Name: 4-amino-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-amino-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-amino-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-azanyl-3-(trifluoromethyl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C3H3F3N4S
MOLECULAR WEIGHT: 184.14293
SMILES: C1(=NNC(=S)N1N)C(F)(F)F
Structure:
CAS RN: 274691-28-0
CAS Name: 2,4-dichloro-6-fluoro-3-phenylquinoline
OPENEYE Name: 2,4-dichloro-6-fluoro-3-phenyl-quinoline
IUPAC Name: 2,4-dichloro-6-fluoro-3-phenylquinoline
SYSTEMATIC NAME: 2,4-bis(chloranyl)-6-fluoranyl-3-phenyl-quinoline
MOLECULAR FORMULA: C15H8Cl2FN
MOLECULAR WEIGHT: 292.135123
SMILES: C1=CC=C(C=C1)C2=C(C3=C(C=CC(=C3)F)N=C2Cl)Cl
Structure:
CAS RN: 2930-80-5
CAS Name: 3-iodo-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
OPENEYE Name: 17-(1,5-dimethylhexyl)-3-iodo-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
IUPAC Name: 3-iodo-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
SYSTEMATIC NAME: 3-iodanyl-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
MOLECULAR FORMULA: C27H45I
MOLECULAR WEIGHT: 496.55067
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)I)C)C
Structure:
CAS RN: 32333-53-2
CAS Name: 4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride
OPENEYE Name: 4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride
IUPAC Name: 4-chloro-3-(trifluoromethyl)benzenesulfonyl chloride
SYSTEMATIC NAME: 4-chloranyl-3-(trifluoromethyl)benzenesulfonyl chloride
MOLECULAR FORMULA: C7H3Cl2F3O2S
MOLECULAR WEIGHT: 279.06373
SMILES: C1=CC(=C(C=C1S(=O)(=O)Cl)C(F)(F)F)Cl
Structure:
CAS RN: 96449-68-2
CAS Name: 1-[(4-fluorophenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid
OPENEYE Name: 1-[(4-fluorophenyl)methyl]-5-oxo-pyrrolidine-3-carboxylic acid
IUPAC Name: 1-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
SYSTEMATIC NAME: 1-[(4-fluorophenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid
MOLECULAR FORMULA: C12H12FNO3
MOLECULAR WEIGHT: 237.226983
SMILES: C1C(CN(C1=O)CC2=CC=C(C=C2)F)C(=O)O
Structure:
CAS RN: 177545-13-0
CAS Name: 7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
OPENEYE Name: 7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
IUPAC Name: 7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
SYSTEMATIC NAME: 7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
MOLECULAR FORMULA: C6H7F3N2
MOLECULAR WEIGHT: 164.12839
SMILES: C1CN=CC=C(N1)C(F)(F)F
Structure:
CAS RN: 655235-65-7
CAS Name: 3-chloro-5-(trifluoromethyl)-2-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate
IUPAC Name: methyl 3-chloro-5-(trifluoromethyl)pyridine-2-carboxylate
SYSTEMATIC NAME: methyl 3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxylate
MOLECULAR FORMULA: C8H5ClF3NO2
MOLECULAR WEIGHT: 239.57901
SMILES: COC(=O)C1=C(C=C(C=N1)C(F)(F)F)Cl
Structure:
CAS RN: 160088-53-9
CAS Name: N-(5-chloro-4-methoxy-2-nitrophenyl)acetamide
OPENEYE Name: N-(5-chloro-4-methoxy-2-nitro-phenyl)acetamide
IUPAC Name: N-(5-chloro-4-methoxy-2-nitrophenyl)acetamide
SYSTEMATIC NAME: N-(5-chloranyl-4-methoxy-2-nitro-phenyl)ethanamide
MOLECULAR FORMULA: C9H9ClN2O4
MOLECULAR WEIGHT: 244.63176
SMILES: CC(=O)NC1=CC(=C(C=C1[N+](=O)[O-])OC)Cl
Structure:
CAS RN: 5084-47-9
CAS Name: 2-chloro-2-phenylphenalene-1,3-dione
OPENEYE Name: 2-chloro-2-phenyl-phenalene-1,3-dione
IUPAC Name: 2-chloro-2-phenylphenalene-1,3-dione
SYSTEMATIC NAME: 2-chloranyl-2-phenyl-phenalene-1,3-dione
MOLECULAR FORMULA: C19H11ClO2
MOLECULAR WEIGHT: 306.74244
SMILES: C1=CC=C(C=C1)C2(C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)Cl
Structure:
CAS RN: 274691-33-7
CAS Name: 2,4-dichloro-8-methoxy-3-phenylquinoline
OPENEYE Name: 2,4-dichloro-8-methoxy-3-phenyl-quinoline
IUPAC Name: 2,4-dichloro-8-methoxy-3-phenylquinoline
SYSTEMATIC NAME: 2,4-bis(chloranyl)-8-methoxy-3-phenyl-quinoline
MOLECULAR FORMULA: C16H11Cl2NO
MOLECULAR WEIGHT: 304.17064
SMILES: COC1=CC=CC2=C1N=C(C(=C2Cl)C3=CC=CC=C3)Cl
Structure:
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