CAS RN: 4210-90-6
CAS Name: 1',2',10,13,17-pentamethyl-17-spiro[2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,3'-diaziridine]ol
OPENEYE Name: 1',2',10,13,17-pentamethylspiro[2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,3'-diaziridine]-17-ol
IUPAC Name: 1',2',10,13,17-pentamethylspiro[2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,3'-diaziridine]-17-ol
SYSTEMATIC NAME: 1,2,10',13',17'-pentamethylspiro[1,2-diaziridine-3,3'-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene]-17'-ol
MOLECULAR FORMULA: C22H38N2O
MOLECULAR WEIGHT: 346.54992
SMILES: CC12CCC3(CC1CCC4C2CCC5(C4CCC5(C)O)C)N(N3C)C
Structure:
CAS RN: 16761-18-5
CAS Name: 4-acetamido-3-chlorobenzenesulfonyl chloride
OPENEYE Name: 4-acetamido-3-chloro-benzenesulfonyl chloride
IUPAC Name: 4-acetamido-3-chlorobenzenesulfonyl chloride
SYSTEMATIC NAME: 4-acetamido-3-chloranyl-benzenesulfonyl chloride
MOLECULAR FORMULA: C8H7Cl2NO3S
MOLECULAR WEIGHT: 268.11708
SMILES: CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)Cl)Cl
Structure:
CAS RN: 42027-81-6
CAS Name: benzoic acid (4,5-diacetyloxy-2-methyl-3-oxolanyl) ester
OPENEYE Name: (4,5-diacetoxy-2-methyl-tetrahydrofuran-3-yl) benzoate
IUPAC Name: (4,5-diacetyloxy-2-methyloxolan-3-yl) benzoate
SYSTEMATIC NAME: (4,5-diacetyloxy-2-methyl-oxolan-3-yl) benzoate
MOLECULAR FORMULA: C16H18O7
MOLECULAR WEIGHT: 322.30992
SMILES: CC1C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C2=CC=CC=C2
Structure:
CAS RN: 32889-86-4
CAS Name: 7,9-dioxo-6,11-dihydro-5bH-indolizino[1,2-b]quinoline-8-carboxylic acid ethyl ester
OPENEYE Name: ethyl 7,9-dioxo-6,11-dihydro-5bH-indolizino[1,2-b]quinoline-8-carboxylate
IUPAC Name: ethyl 7,9-dioxo-6,11-dihydro-5bH-indolizino[1,2-b]quinoline-8-carboxylate
SYSTEMATIC NAME: ethyl 7,9-bis(oxidanylidene)-6,11-dihydro-5bH-indolizino[1,2-b]quinoline-8-carboxylate
MOLECULAR FORMULA: C18H16N2O4
MOLECULAR WEIGHT: 324.33064
SMILES: CCOC(=O)C1C(=O)CC2C3=NC4=CC=CC=C4C=C3CN2C1=O
Structure:
CAS RN: 2917-78-4
CAS Name: 2,6-dichloro-3-nitro-4-pyridinamine
OPENEYE Name: 2,6-dichloro-3-nitro-pyridin-4-amine
IUPAC Name: 2,6-dichloro-3-nitropyridin-4-amine
SYSTEMATIC NAME: 2,6-bis(chloranyl)-3-nitro-pyridin-4-amine
MOLECULAR FORMULA: C5H3Cl2N3O2
MOLECULAR WEIGHT: 208.00222
SMILES: C1=C(C(=C(N=C1Cl)Cl)[N+](=O)[O-])N
Structure:
CAS RN: 75059-23-3
CAS Name: 2-[6-amino-8-(prop-2-enylthio)-9-purinyl]-5-(hydroxymethyl)oxolane-3,4-diol
OPENEYE Name: 2-(8-allylsulfanyl-6-amino-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
IUPAC Name: 2-(6-amino-8-prop-2-enylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SYSTEMATIC NAME: 2-(6-azanyl-8-prop-2-enylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
MOLECULAR FORMULA: C13H17N5O4S
MOLECULAR WEIGHT: 339.37018
SMILES: C=CCSC1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=CN=C2N
Structure:
CAS RN: 20201-04-1
CAS Name: 2-chloro-1-[(2-chloro-4-nitrophenyl)disulfanyl]-4-nitrobenzene
OPENEYE Name: 2-chloro-1-[(2-chloro-4-nitro-phenyl)disulfanyl]-4-nitro-benzene
IUPAC Name: 2-chloro-1-[(2-chloro-4-nitrophenyl)disulfanyl]-4-nitrobenzene
SYSTEMATIC NAME: 2-chloranyl-1-[(2-chloranyl-4-nitro-phenyl)disulfanyl]-4-nitro-benzene
MOLECULAR FORMULA: C12H6Cl2N2O4S2
MOLECULAR WEIGHT: 377.22304
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)SSC2=C(C=C(C=C2)[N+](=O)[O-])Cl
Structure:
CAS RN: 20286-12-8
CAS Name: 2-chloro-1-[(2-chloro-4-nitrophenyl)disulfanyl]-4-nitrobenzene
OPENEYE Name: 2-chloro-1-[(2-chloro-4-nitro-phenyl)disulfanyl]-4-nitro-benzene
IUPAC Name: 2-chloro-1-[(2-chloro-4-nitrophenyl)disulfanyl]-4-nitrobenzene
SYSTEMATIC NAME: 2-chloranyl-1-[(2-chloranyl-4-nitro-phenyl)disulfanyl]-4-nitro-benzene
MOLECULAR FORMULA: C12H6Cl2N2O4S2
MOLECULAR WEIGHT: 377.22304
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)SSC2=C(C=C(C=C2)[N+](=O)[O-])Cl
Structure:
CAS RN: 29811-61-8
CAS Name: 4-[(4-amino-3-methoxyphenyl)disulfanyl]-2-methoxyaniline
OPENEYE Name: 4-[(4-amino-3-methoxy-phenyl)disulfanyl]-2-methoxy-aniline
IUPAC Name: 4-[(4-amino-3-methoxyphenyl)disulfanyl]-2-methoxyaniline
SYSTEMATIC NAME: 4-[(4-azanyl-3-methoxy-phenyl)disulfanyl]-2-methoxy-aniline
MOLECULAR FORMULA: C14H16N2O2S2
MOLECULAR WEIGHT: 308.41904
SMILES: COC1=C(C=CC(=C1)SSC2=CC(=C(C=C2)N)OC)N
Structure:
CAS RN: 3380-44-7
CAS Name: 1,2,4-trichloro-3,5,5-trimethoxycyclopenta-1,3-diene
OPENEYE Name: 1,2,4-trichloro-3,5,5-trimethoxy-cyclopenta-1,3-diene
IUPAC Name: 1,2,4-trichloro-3,5,5-trimethoxycyclopenta-1,3-diene
SYSTEMATIC NAME: 1,2,4-tris(chloranyl)-3,5,5-trimethoxy-cyclopenta-1,3-diene
MOLECULAR FORMULA: C8H9Cl3O3
MOLECULAR WEIGHT: 259.51426
SMILES: COC1=C(C(C(=C1Cl)Cl)(OC)OC)Cl
Structure:
CAS RN: 7319-41-7
CAS Name: 4,5,6,7-tetrachloro-3a,7a-dihydroisobenzofuran-1,3-dione
OPENEYE Name: 4,5,6,7-tetrachloro-3a,7a-dihydroisobenzofuran-1,3-dione
IUPAC Name: 4,5,6,7-tetrachloro-3a,7a-dihydro-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 4,5,6,7-tetrakis(chloranyl)-3a,7a-dihydro-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C8H2Cl4O3
MOLECULAR WEIGHT: 287.91168
SMILES: C12C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=O)OC2=O
Structure:
CAS RN: 1844-01-5
CAS Name: 1,4-dichloro-7,7-dimethoxybicyclo[2.2.1]heptane
OPENEYE Name: 1,4-dichloro-7,7-dimethoxy-norbornane
IUPAC Name: 1,4-dichloro-7,7-dimethoxybicyclo[2.2.1]heptane
SYSTEMATIC NAME: 1,4-bis(chloranyl)-7,7-dimethoxy-bicyclo[2.2.1]heptane
MOLECULAR FORMULA: C9H14Cl2O2
MOLECULAR WEIGHT: 225.11226
SMILES: COC1(C2(CCC1(CC2)Cl)Cl)OC
Structure:
CAS RN: 26691-06-5
CAS Name: 2-[(3,5-dimethoxyphenyl)methylidene]propanedinitrile
OPENEYE Name: 2-[(3,5-dimethoxyphenyl)methylene]propanedinitrile
IUPAC Name: 2-[(3,5-dimethoxyphenyl)methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[(3,5-dimethoxyphenyl)methylidene]propanedinitrile
MOLECULAR FORMULA: C12H10N2O2
MOLECULAR WEIGHT: 214.22
SMILES: COC1=CC(=CC(=C1)C=C(C#N)C#N)OC
Structure:
CAS RN: 5958-52-1
CAS Name: [5-(2-methyl-1,3-dioxolan-2-yl)-2-thiophenyl]-phenylmethanol
OPENEYE Name: [5-(2-methyl-1,3-dioxolan-2-yl)-2-thienyl]-phenyl-methanol
IUPAC Name: [5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]-phenylmethanol
SYSTEMATIC NAME: [5-(2-methyl-1,3-dioxolan-2-yl)thiophen-2-yl]-phenyl-methanol
MOLECULAR FORMULA: C15H16O3S
MOLECULAR WEIGHT: 276.35074
SMILES: CC1(OCCO1)C2=CC=C(S2)C(C3=CC=CC=C3)O
Structure:
CAS RN: 19585-90-1
CAS Name: 3-phenylquinoline-2,4-dicarboxylic acid
OPENEYE Name: 3-phenylquinoline-2,4-dicarboxylic acid
IUPAC Name: 3-phenylquinoline-2,4-dicarboxylic acid
SYSTEMATIC NAME: 3-phenylquinoline-2,4-dicarboxylic acid
MOLECULAR FORMULA: C17H11NO4
MOLECULAR WEIGHT: 293.27354
SMILES: C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N=C2C(=O)O)C(=O)O
Structure:
CAS RN: 5345-39-1
CAS Name: methanesulfonic acid; methanesulfonic acid 3-[methyl(3-methylsulfonyloxypropyl)amino]propyl ester
OPENEYE Name: methanesulfonic acid; 3-[methyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate
IUPAC Name: methanesulfonic acid; 3-[methyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate
SYSTEMATIC NAME: methanesulfonic acid; 3-[methyl(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate
MOLECULAR FORMULA: C10H25NO9S3
MOLECULAR WEIGHT: 399.5018
SMILES: CN(CCCOS(=O)(=O)C)CCCOS(=O)(=O)C.CS(=O)(=O)O
Structure:
CAS RN: 22600-28-8
CAS Name: 1,3-benzodioxol-5-yl-[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-3-furanyl]methanone
OPENEYE Name: 1,3-benzodioxol-5-yl-[4-(3,4,5-trimethoxybenzoyl)-3-furyl]methanone
IUPAC Name: 1,3-benzodioxol-5-yl-[4-(3,4,5-trimethoxybenzoyl)furan-3-yl]methanone
SYSTEMATIC NAME: 1,3-benzodioxol-5-yl-[4-(3,4,5-trimethoxyphenyl)carbonylfuran-3-yl]methanone
MOLECULAR FORMULA: C22H18O8
MOLECULAR WEIGHT: 410.37352
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)C2=COC=C2C(=O)C3=CC4=C(C=C3)OCO4
Structure:
CAS RN: 2273-76-9
CAS Name: 1,3-benzodioxol-5-yl-[4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-3-furanyl]methanone
OPENEYE Name: 1,3-benzodioxol-5-yl-[4-(3,4,5-trimethoxybenzoyl)-3-furyl]methanone
IUPAC Name: 1,3-benzodioxol-5-yl-[4-(3,4,5-trimethoxybenzoyl)furan-3-yl]methanone
SYSTEMATIC NAME: 1,3-benzodioxol-5-yl-[4-(3,4,5-trimethoxyphenyl)carbonylfuran-3-yl]methanone
MOLECULAR FORMULA: C22H18O8
MOLECULAR WEIGHT: 410.37352
SMILES: COC1=CC(=CC(=C1OC)OC)C(=O)C2=COC=C2C(=O)C3=CC4=C(C=C3)OCO4
Structure:
CAS RN: 57045-85-9
CAS Name: N-(2-bromo-4-chlorophenyl)acetamide
OPENEYE Name: N-(2-bromo-4-chloro-phenyl)acetamide
IUPAC Name: N-(2-bromo-4-chlorophenyl)acetamide
SYSTEMATIC NAME: N-(2-bromanyl-4-chloranyl-phenyl)ethanamide
MOLECULAR FORMULA: C8H7BrClNO
MOLECULAR WEIGHT: 248.50428
SMILES: CC(=O)NC1=C(C=C(C=C1)Cl)Br
Structure:
CAS RN: 500579-00-0
CAS Name: 2-(4-phenylphenyl)-4-benzo[g]quinolinecarboxylic acid
OPENEYE Name: 2-(4-phenylphenyl)benzo[g]quinoline-4-carboxylic acid
IUPAC Name: 2-(4-phenylphenyl)benzo[g]quinoline-4-carboxylic acid
SYSTEMATIC NAME: 2-(4-phenylphenyl)benzo[g]quinoline-4-carboxylic acid
MOLECULAR FORMULA: C26H17NO2
MOLECULAR WEIGHT: 375.41868
SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC5=CC=CC=C5C=C4C(=C3)C(=O)O
Structure:
CAS RN: 37062-61-6
CAS Name: 2,2-bis(3-chloropropyl)-1,3-dioxolane
OPENEYE Name: 2,2-bis(3-chloropropyl)-1,3-dioxolane
IUPAC Name: 2,2-bis(3-chloropropyl)-1,3-dioxolane
SYSTEMATIC NAME: 2,2-bis(3-chloranylpropyl)-1,3-dioxolane
MOLECULAR FORMULA: C9H16Cl2O2
MOLECULAR WEIGHT: 227.12814
SMILES: C1COC(O1)(CCCCl)CCCCl
Structure:
CAS RN: 21829-28-7
CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C19H22N2O6
MOLECULAR WEIGHT: 374.38778
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C)C
Structure:
CAS RN: 21945-66-4
CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester
OPENEYE Name: diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
IUPAC Name: diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
SYSTEMATIC NAME: diethyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
MOLECULAR FORMULA: C19H22N2O6
MOLECULAR WEIGHT: 374.38778
SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC)C)C
Structure:
CAS RN: 31489-22-2
CAS Name: 1-(2,4,5-trichlorophenyl)pyrrole-2,5-dione
OPENEYE Name: 1-(2,4,5-trichlorophenyl)pyrrole-2,5-dione
IUPAC Name: 1-(2,4,5-trichlorophenyl)pyrrole-2,5-dione
SYSTEMATIC NAME: 1-[2,4,5-tris(chloranyl)phenyl]pyrrole-2,5-dione
MOLECULAR FORMULA: C10H4Cl3NO2
MOLECULAR WEIGHT: 276.50326
SMILES: C1=CC(=O)N(C1=O)C2=CC(=C(C=C2Cl)Cl)Cl
Structure:
CAS RN: 31695-91-7
CAS Name: 1-(2,4,5-trichlorophenyl)pyrrole-2,5-dione
OPENEYE Name: 1-(2,4,5-trichlorophenyl)pyrrole-2,5-dione
IUPAC Name: 1-(2,4,5-trichlorophenyl)pyrrole-2,5-dione
SYSTEMATIC NAME: 1-[2,4,5-tris(chloranyl)phenyl]pyrrole-2,5-dione
MOLECULAR FORMULA: C10H4Cl3NO2
MOLECULAR WEIGHT: 276.50326
SMILES: C1=CC(=O)N(C1=O)C2=CC(=C(C=C2Cl)Cl)Cl
Structure:
CAS RN: 46496-80-4
CAS Name: 2-[oxo(thiophen-2-yl)methyl]benzoic acid
OPENEYE Name: 2-(thiophene-2-carbonyl)benzoic acid
IUPAC Name: 2-(thiophene-2-carbonyl)benzoic acid
SYSTEMATIC NAME: 2-thiophen-2-ylcarbonylbenzoic acid
MOLECULAR FORMULA: C12H8O3S
MOLECULAR WEIGHT: 232.25512
SMILES: C1=CC=C(C(=C1)C(=O)C2=CC=CS2)C(=O)O
Structure:
CAS RN: 42204-41-1
CAS Name: 2-bromo-4-phenylaniline
OPENEYE Name: 2-bromo-4-phenyl-aniline
IUPAC Name: 2-bromo-4-phenylaniline
SYSTEMATIC NAME: 2-bromanyl-4-phenyl-aniline
MOLECULAR FORMULA: C12H10BrN
MOLECULAR WEIGHT: 248.1185
SMILES: C1=CC=C(C=C1)C2=CC(=C(C=C2)N)Br
Structure:
CAS RN: 90926-28-6
CAS Name: [2-chloro-5-(trifluoromethyl)phenyl]urea
OPENEYE Name: [2-chloro-5-(trifluoromethyl)phenyl]urea
IUPAC Name: [2-chloro-5-(trifluoromethyl)phenyl]urea
SYSTEMATIC NAME: 1-[2-chloranyl-5-(trifluoromethyl)phenyl]urea
MOLECULAR FORMULA: C8H6ClF3N2O
MOLECULAR WEIGHT: 238.59425
SMILES: C1=CC(=C(C=C1C(F)(F)F)NC(=O)N)Cl
Structure:
CAS RN: 33538-09-9
CAS Name: 2,2-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
OPENEYE Name: 2,2-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
IUPAC Name: 2,2-dichloro-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SYSTEMATIC NAME: 2,2-bis(chloranyl)-N-[2-chloranyl-5-(trifluoromethyl)phenyl]ethanamide
MOLECULAR FORMULA: C9H5Cl3F3NO
MOLECULAR WEIGHT: 306.49631
SMILES: C1=CC(=C(C=C1C(F)(F)F)NC(=O)C(Cl)Cl)Cl
Structure:
CAS RN: 22957-48-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H27NO7
MOLECULAR WEIGHT: 645.65558
SMILES: C1=CC=C(C=C1)C(=O)OC2=C(C3(C4C(C2(C3=O)C5=CC=CC=C5)C(=O)N(C4=O)C6=CC=CC=C6)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8
Structure:
CAS RN: 34348-57-7
CAS Name: 2-nitrospiro[cyclopropane-1,9'-fluorene]
OPENEYE Name: 2-nitrospiro[cyclopropane-1,9'-fluorene]
IUPAC Name: 2-nitrospiro[cyclopropane-1,9'-fluorene]
SYSTEMATIC NAME: 2-nitrospiro[cyclopropane-1,9'-fluorene]
MOLECULAR FORMULA: C15H11NO2
MOLECULAR WEIGHT: 237.25334
SMILES: C1C(C12C3=CC=CC=C3C4=CC=CC=C24)[N+](=O)[O-]
Structure:
CAS RN: 27973-36-0
CAS Name: 2-(9-fluorenylidene)acetic acid ethyl ester
OPENEYE Name: ethyl 2-fluoren-9-ylideneacetate
IUPAC Name: ethyl 2-fluoren-9-ylideneacetate
SYSTEMATIC NAME: ethyl 2-fluoren-9-ylideneethanoate
MOLECULAR FORMULA: C17H14O2
MOLECULAR WEIGHT: 250.29186
SMILES: CCOC(=O)C=C1C2=CC=CC=C2C3=CC=CC=C31
Structure:
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