CAS RN: 483-07-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C31H36N2O8
MOLECULAR WEIGHT: 564.62614
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)O[C@H]2[C@@H](C[C@@H]3CN4CCC5=C([C@H]4C[C@@H]3[C@@H]2C(=O)OC)NC6=CC=CC=C56)O
Structure:
CAS RN: 6105-92-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H30N2O9
MOLECULAR WEIGHT: 502.5137
SMILES: CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC(=C(C=C45)OC)OC.C(=O)(C(=O)O)O
Structure:
CAS RN: 84-37-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26N2O3
MOLECULAR WEIGHT: 354.44274
SMILES: COC(=O)[C@H]1[C@H](CC[C@@H]2[C@@H]1C[C@@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O
Structure:
CAS RN: 6474-90-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H24N2O3
MOLECULAR WEIGHT: 352.42686
SMILES: CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45
Structure:
CAS RN: 21594-84-3
CAS Name: 2-methoxy-6-[(4-methyl-1-piperazinyl)methyl]-4-prop-2-enylphenol
OPENEYE Name: 4-allyl-2-methoxy-6-[(4-methylpiperazin-1-yl)methyl]phenol
IUPAC Name: 2-methoxy-6-[(4-methylpiperazin-1-yl)methyl]-4-prop-2-enylphenol
SYSTEMATIC NAME: 2-methoxy-6-[(4-methylpiperazin-1-yl)methyl]-4-prop-2-enyl-phenol
MOLECULAR FORMULA: C16H24N2O2
MOLECULAR WEIGHT: 276.37396
SMILES: CN1CCN(CC1)CC2=C(C(=CC(=C2)CC=C)OC)O
Structure:
CAS RN: 15997-89-4
CAS Name: 5,6-dichloroisoindole-1,3-dione
OPENEYE Name: 5,6-dichloroisoindoline-1,3-dione
IUPAC Name: 5,6-dichloroisoindole-1,3-dione
SYSTEMATIC NAME: 5,6-bis(chloranyl)isoindole-1,3-dione
MOLECULAR FORMULA: C8H3Cl2NO2
MOLECULAR WEIGHT: 216.02092
SMILES: C1=C2C(=CC(=C1Cl)Cl)C(=O)NC2=O
Structure:
CAS RN: 19768-54-8
CAS Name: 5,6-dichloroisoindole-1,3-dione
OPENEYE Name: 5,6-dichloroisoindoline-1,3-dione
IUPAC Name: 5,6-dichloroisoindole-1,3-dione
SYSTEMATIC NAME: 5,6-bis(chloranyl)isoindole-1,3-dione
MOLECULAR FORMULA: C8H3Cl2NO2
MOLECULAR WEIGHT: 216.02092
SMILES: C1=C2C(=CC(=C1Cl)Cl)C(=O)NC2=O
Structure:
CAS RN: 7605-64-3
CAS Name: 5,5,5-trichloro-4-oxopentanoic acid
OPENEYE Name: 5,5,5-trichloro-4-oxo-pentanoic acid
IUPAC Name: 5,5,5-trichloro-4-oxopentanoic acid
SYSTEMATIC NAME: 5,5,5-tris(chloranyl)-4-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C5H5Cl3O3
MOLECULAR WEIGHT: 219.4504
SMILES: C(CC(=O)O)C(=O)C(Cl)(Cl)Cl
Structure:
CAS RN: 51174-93-7
CAS Name: dichloro-(dichloromethylthio)methane
OPENEYE Name: dichloro(dichloromethylsulfanyl)methane
IUPAC Name: dichloro(dichloromethylsulfanyl)methane
SYSTEMATIC NAME: bis(chloranyl)methylsulfanyl-bis(chloranyl)methane
MOLECULAR FORMULA: C2H2Cl4S
MOLECULAR WEIGHT: 199.91428
SMILES: C(SC(Cl)Cl)(Cl)Cl
Structure:
CAS RN: 7149-32-8
CAS Name: 2-furancarboxylic acid 2-phenylethyl ester
OPENEYE Name: 2-phenylethyl furan-2-carboxylate
IUPAC Name: 2-phenylethyl furan-2-carboxylate
SYSTEMATIC NAME: 2-phenylethyl furan-2-carboxylate
MOLECULAR FORMULA: C13H12O3
MOLECULAR WEIGHT: 216.23258
SMILES: C1=CC=C(C=C1)CCOC(=O)C2=CC=CO2
Structure:
CAS RN: 18982-72-4
CAS Name: 1-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
OPENEYE Name: 1-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
IUPAC Name: 1-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-3-[4-(dimethylamino)phenyl]urea
MOLECULAR FORMULA: C15H15Cl2N3O
MOLECULAR WEIGHT: 324.2051
SMILES: CN(C)C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl
Structure:
CAS RN: 21457-24-9
CAS Name: (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-2-methylene-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
OPENEYE Name: (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-2-methylene-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
IUPAC Name: (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-2-methylidene-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
SYSTEMATIC NAME: (8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2-methylidene-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one
MOLECULAR FORMULA: C20H28O2
MOLECULAR WEIGHT: 300.43512
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=CC(=O)C(=C)C[C@]34C
Structure:
CAS RN: 4344-84-7
CAS Name: 5-oxo-2-oxolanecarboxylic acid
OPENEYE Name: 5-oxotetrahydrofuran-2-carboxylic acid
IUPAC Name: 5-oxooxolane-2-carboxylic acid
SYSTEMATIC NAME: 5-oxidanylideneoxolane-2-carboxylic acid
MOLECULAR FORMULA: C5H6O4
MOLECULAR WEIGHT: 130.09874
SMILES: C1CC(=O)OC1C(=O)O
Structure:
CAS RN: 7255-71-2
CAS Name: 2-(2-bromophenyl)-5-(1-naphthalenyl)-1,3,4-oxadiazole
OPENEYE Name: 2-(2-bromophenyl)-5-(1-naphthyl)-1,3,4-oxadiazole
IUPAC Name: 2-(2-bromophenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(2-bromophenyl)-5-naphthalen-1-yl-1,3,4-oxadiazole
MOLECULAR FORMULA: C18H11BrN2O
MOLECULAR WEIGHT: 351.19674
SMILES: C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)C4=CC=CC=C4Br
Structure:
CAS RN: 7152-04-7
CAS Name: 3-(4-acetamidophenyl)-2-propenoic acid
OPENEYE Name: 3-(4-acetamidophenyl)prop-2-enoic acid
IUPAC Name: 3-(4-acetamidophenyl)prop-2-enoic acid
SYSTEMATIC NAME: 3-(4-acetamidophenyl)prop-2-enoic acid
MOLECULAR FORMULA: C11H11NO3
MOLECULAR WEIGHT: 205.20994
SMILES: CC(=O)NC1=CC=C(C=C1)C=CC(=O)O
Structure:
CAS RN: 7151-94-2
CAS Name: N-[6-amino-9-[5-(1,2-dihydroxyethyl)-3,4-dihydroxy-2-oxolanyl]-2-purinyl]acetamide
OPENEYE Name: N-[6-amino-9-[5-(1,2-dihydroxyethyl)-3,4-dihydroxy-tetrahydrofuran-2-yl]purin-2-yl]acetamide
IUPAC Name: N-[6-amino-9-[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]purin-2-yl]acetamide
SYSTEMATIC NAME: N-[6-azanyl-9-[5-[1,2-bis(oxidanyl)ethyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-2-yl]ethanamide
MOLECULAR FORMULA: C13H18N6O6
MOLECULAR WEIGHT: 354.31862
SMILES: CC(=O)NC1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)C(CO)O)O)O
Structure:
CAS RN: 3598-68-3
CAS Name: 3-(nitromethyl)-3H-isobenzofuran-1-one
OPENEYE Name: 3-(nitromethyl)-3H-isobenzofuran-1-one
IUPAC Name: 3-(nitromethyl)-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 3-(nitromethyl)-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C9H7NO4
MOLECULAR WEIGHT: 193.15618
SMILES: C1=CC=C2C(=C1)C(OC2=O)C[N+](=O)[O-]
Structure:
CAS RN: 2038-92-8
CAS Name: 1,1,3,3-tetramethyl-2-nitroguanidine
OPENEYE Name: 1,1,3,3-tetramethyl-2-nitro-guanidine
IUPAC Name: 1,1,3,3-tetramethyl-2-nitroguanidine
SYSTEMATIC NAME: 1,1,3,3-tetramethyl-2-nitro-guanidine
MOLECULAR FORMULA: C5H12N4O2
MOLECULAR WEIGHT: 160.17438
SMILES: CN(C)C(=N[N+](=O)[O-])N(C)C
Structure:
CAS RN: 6650-84-6
CAS Name: 1,4-dimethyl-1,4-diazepane
OPENEYE Name: 1,4-dimethyl-1,4-diazepane
IUPAC Name: 1,4-dimethyl-1,4-diazepane
SYSTEMATIC NAME: 1,4-dimethyl-1,4-diazepane
MOLECULAR FORMULA: C7H16N2
MOLECULAR WEIGHT: 128.21534
SMILES: CN1CCCN(CC1)C
Structure:
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