CAS RN: 40421-16-7
CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)acetyl chloride
OPENEYE Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)acetyl chloride
IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl chloride
SYSTEMATIC NAME: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoyl chloride
MOLECULAR FORMULA: C9H9ClN4O3
MOLECULAR WEIGHT: 256.64576
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)Cl
Structure:
CAS RN: 40411-77-6
CAS Name: N-(2,6-dinitrophenyl)-2,4,6-trinitroaniline
OPENEYE Name: N-(2,6-dinitrophenyl)-2,4,6-trinitro-aniline
IUPAC Name: N-(2,6-dinitrophenyl)-2,4,6-trinitroaniline
SYSTEMATIC NAME: N-(2,6-dinitrophenyl)-2,4,6-trinitro-aniline
MOLECULAR FORMULA: C12H6N6O10
MOLECULAR WEIGHT: 394.21024
SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 40411-76-5
CAS Name: N-(2,4-dinitrophenyl)-2,6-dinitroaniline
OPENEYE Name: N-(2,4-dinitrophenyl)-2,6-dinitro-aniline
IUPAC Name: N-(2,4-dinitrophenyl)-2,6-dinitroaniline
SYSTEMATIC NAME: N-(2,4-dinitrophenyl)-2,6-dinitro-aniline
MOLECULAR FORMULA: C12H7N5O8
MOLECULAR WEIGHT: 349.21268
SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 40398-00-3
CAS Name: 2-chloro-1-isocyanato-4-methylbenzene
OPENEYE Name: 2-chloro-1-isocyanato-4-methyl-benzene
IUPAC Name: 2-chloro-1-isocyanato-4-methylbenzene
SYSTEMATIC NAME: 2-chloranyl-1-isocyanato-4-methyl-benzene
MOLECULAR FORMULA: C8H6ClNO
MOLECULAR WEIGHT: 167.59234
SMILES: CC1=CC(=C(C=C1)N=C=O)Cl
Structure:
CAS RN: 40381-91-7
CAS Name: 2,4,6-trichloro-3-pyridinecarbonitrile
OPENEYE Name: 2,4,6-trichloropyridine-3-carbonitrile
IUPAC Name: 2,4,6-trichloropyridine-3-carbonitrile
SYSTEMATIC NAME: 2,4,6-tris(chloranyl)pyridine-3-carbonitrile
MOLECULAR FORMULA: C6HCl3N2
MOLECULAR WEIGHT: 207.44454
SMILES: C1=C(C(=C(N=C1Cl)Cl)C#N)Cl
Structure:
CAS RN: 40322-01-8
CAS Name: 2-[2-(carboxymethyl)butoxy-oxomethyl]benzoic acid
OPENEYE Name: 2-[2-(carboxymethyl)butoxycarbonyl]benzoic acid
IUPAC Name: 2-[2-(carboxymethyl)butoxycarbonyl]benzoic acid
SYSTEMATIC NAME: 2-(2-ethyl-4-oxidanyl-4-oxidanylidene-butoxy)carbonylbenzoic acid
MOLECULAR FORMULA: C14H16O6
MOLECULAR WEIGHT: 280.27324
SMILES: CCC(CC(=O)O)COC(=O)C1=CC=CC=C1C(=O)O
Structure:
CAS RN: 40297-41-4
CAS Name: N,N-dimethyl-2-[4-(2-nitro-1,2-diphenylethenyl)phenoxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
OPENEYE Name: citric acid; N,N-dimethyl-2-[4-(2-nitro-1,2-diphenyl-vinyl)phenoxy]ethanamine
IUPAC Name: N,N-dimethyl-2-[4-(2-nitro-1,2-diphenylethenyl)phenoxy]ethanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid
SYSTEMATIC NAME: N,N-dimethyl-2-[4-(2-nitro-1,2-diphenyl-ethenyl)phenoxy]ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid
MOLECULAR FORMULA: C30H32N2O10
MOLECULAR WEIGHT: 580.58248
SMILES: CN(C)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)[N+](=O)[O-])C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Structure:
CAS RN: 40292-01-1
CAS Name: N,N-dimethyl-4-(4-phenyldiazenylphenyl)azoaniline
OPENEYE Name: N,N-dimethyl-4-(4-phenylazophenyl)azo-aniline
IUPAC Name: N,N-dimethyl-4-[(4-phenyldiazenylphenyl)diazenyl]aniline
SYSTEMATIC NAME: N,N-dimethyl-4-[(4-phenyldiazenylphenyl)diazenyl]aniline
MOLECULAR FORMULA: C20H19N5
MOLECULAR WEIGHT: 329.39836
SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=CC=CC=C3
Structure:
CAS RN: 40258-80-8
CAS Name: 2,2-dimethylpropanoic acid 1-chloroethyl ester
OPENEYE Name: 1-chloroethyl 2,2-dimethylpropanoate
IUPAC Name: 1-chloroethyl 2,2-dimethylpropanoate
SYSTEMATIC NAME: 1-chloroethyl 2,2-dimethylpropanoate
MOLECULAR FORMULA: C7H13ClO2
MOLECULAR WEIGHT: 164.62992
SMILES: CC(OC(=O)C(C)(C)C)Cl
Structure:
CAS RN: 40257-02-1
CAS Name: 2-(3-nitrophenoxy)acetyl chloride
OPENEYE Name: 2-(3-nitrophenoxy)acetyl chloride
IUPAC Name: 2-(3-nitrophenoxy)acetyl chloride
SYSTEMATIC NAME: 2-(3-nitrophenoxy)ethanoyl chloride
MOLECULAR FORMULA: C8H6ClNO4
MOLECULAR WEIGHT: 215.59054
SMILES: C1=CC(=CC(=C1)OCC(=O)Cl)[N+](=O)[O-]
Structure:
CAS RN: 40256-87-9
CAS Name: 2-(4-nitrophenoxy)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
OPENEYE Name: N-[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]-2-(4-nitrophenoxy)acetamide
IUPAC Name: 2-(4-nitrophenoxy)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]acetamide
SYSTEMATIC NAME: 2-(4-nitrophenoxy)-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]ethanamide
MOLECULAR FORMULA: C18H17F3N2O4
MOLECULAR WEIGHT: 382.33379
SMILES: CC(CC1=CC(=CC=C1)C(F)(F)F)NC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 40254-73-7
CAS Name: 7-[3-[[2-(3,5-dihydroxyphenyl)-2-oxoethyl]-(phenylmethyl)amino]propyl]-1,3-dimethylpurine-2,6-dione hydrochloride
OPENEYE Name: 7-[3-[benzyl-[2-(3,5-dihydroxyphenyl)-2-oxo-ethyl]amino]propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride
IUPAC Name: 7-[3-[benzyl-[2-(3,5-dihydroxyphenyl)-2-oxoethyl]amino]propyl]-1,3-dimethylpurine-2,6-dione hydrochloride
SYSTEMATIC NAME: 7-[3-[[2-[3,5-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]-(phenylmethyl)amino]propyl]-1,3-dimethyl-purine-2,6-dione hydrochloride
MOLECULAR FORMULA: C25H28ClN5O5
MOLECULAR WEIGHT: 513.97332
SMILES: CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCN(CC3=CC=CC=C3)CC(=O)C4=CC(=CC(=C4)O)O.Cl
Structure:
CAS RN: 40239-01-8
CAS Name: 4,6,6-trimethyl-2-heptanone
OPENEYE Name: 4,6,6-trimethylheptan-2-one
IUPAC Name: 4,6,6-trimethylheptan-2-one
SYSTEMATIC NAME: 4,6,6-trimethylheptan-2-one
MOLECULAR FORMULA: C10H20O
MOLECULAR WEIGHT: 156.2652
SMILES: CC(CC(=O)C)CC(C)(C)C
Structure:
CAS RN: 40227-15-4
CAS Name: N,N'-diacetyloxamide
OPENEYE Name: N,N'-diacetyloxamide
IUPAC Name: N,N'-diacetyloxamide
SYSTEMATIC NAME: N,N'-diethanoylethanediamide
MOLECULAR FORMULA: C6H8N2O4
MOLECULAR WEIGHT: 172.13872
SMILES: CC(=O)NC(=O)C(=O)NC(=O)C
Structure:
CAS RN: 40182-09-0
CAS Name: N-methyl-2-phenoxybenzenesulfonamide
OPENEYE Name: N-methyl-2-phenoxy-benzenesulfonamide
IUPAC Name: N-methyl-2-phenoxybenzenesulfonamide
SYSTEMATIC NAME: N-methyl-2-phenoxy-benzenesulfonamide
MOLECULAR FORMULA: C13H13NO3S
MOLECULAR WEIGHT: 263.31222
SMILES: CNS(=O)(=O)C1=CC=CC=C1OC2=CC=CC=C2
Structure:
CAS RN: 40171-86-6
CAS Name: 1-(ethylamino)-2-propanol
OPENEYE Name: 1-(ethylamino)propan-2-ol
IUPAC Name: 1-(ethylamino)propan-2-ol
SYSTEMATIC NAME: 1-(ethylamino)propan-2-ol
MOLECULAR FORMULA: C5H13NO
MOLECULAR WEIGHT: 103.16282
SMILES: CCNCC(C)O
Structure:
CAS RN: 40131-09-7
CAS Name: 2-(methoxymethylidene)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(methoxymethylene)propanedioate
IUPAC Name: diethyl 2-(methoxymethylidene)propanedioate
SYSTEMATIC NAME: diethyl 2-(methoxymethylidene)propanedioate
MOLECULAR FORMULA: C9H14O5
MOLECULAR WEIGHT: 202.20446
SMILES: CCOC(=O)C(=COC)C(=O)OCC
Structure:
CAS RN: 40124-27-4
CAS Name: 2-bromo-N,N-dibutylacetamide
OPENEYE Name: 2-bromo-N,N-dibutyl-acetamide
IUPAC Name: 2-bromo-N,N-dibutylacetamide
SYSTEMATIC NAME: 2-bromanyl-N,N-dibutyl-ethanamide
MOLECULAR FORMULA: C10H20BrNO
MOLECULAR WEIGHT: 250.1759
SMILES: CCCCN(CCCC)C(=O)CBr
Structure:
CAS RN: 40108-95-0
CAS Name: N-[(4-chloroanilino)-oxomethyl]-2,6-dimethylbenzamide
OPENEYE Name: N-[(4-chlorophenyl)carbamoyl]-2,6-dimethyl-benzamide
IUPAC Name: N-[(4-chlorophenyl)carbamoyl]-2,6-dimethylbenzamide
SYSTEMATIC NAME: N-[(4-chlorophenyl)carbamoyl]-2,6-dimethyl-benzamide
MOLECULAR FORMULA: C16H15ClN2O2
MOLECULAR WEIGHT: 302.7555
SMILES: CC1=C(C(=CC=C1)C)C(=O)NC(=O)NC2=CC=C(C=C2)Cl
Structure:
CAS RN: 40051-30-7
CAS Name: 10-(3-chloropropyl)-2-methylsulfonylphenothiazine
OPENEYE Name: 10-(3-chloropropyl)-2-methylsulfonyl-phenothiazine
IUPAC Name: 10-(3-chloropropyl)-2-methylsulfonylphenothiazine
SYSTEMATIC NAME: 10-(3-chloranylpropyl)-2-methylsulfonyl-phenothiazine
MOLECULAR FORMULA: C16H16ClNO2S2
MOLECULAR WEIGHT: 353.88674
SMILES: CS(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCCl
Structure:
CAS RN: 40051-12-5
CAS Name: 10-(3-chloropropyl)-N,N-dimethyl-2-phenothiazinesulfonamide
OPENEYE Name: 10-(3-chloropropyl)-N,N-dimethyl-phenothiazine-2-sulfonamide
IUPAC Name: 10-(3-chloropropyl)-N,N-dimethylphenothiazine-2-sulfonamide
SYSTEMATIC NAME: 10-(3-chloranylpropyl)-N,N-dimethyl-phenothiazine-2-sulfonamide
MOLECULAR FORMULA: C17H19ClN2O2S2
MOLECULAR WEIGHT: 382.92796
SMILES: CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCCl
Structure:
CAS RN: 40043-26-3
CAS Name: N'-ethylhexane-1,6-diamine
OPENEYE Name: N'-ethylhexane-1,6-diamine
IUPAC Name: N'-ethylhexane-1,6-diamine
SYSTEMATIC NAME: N'-ethylhexane-1,6-diamine
MOLECULAR FORMULA: C8H20N2
MOLECULAR WEIGHT: 144.2578
SMILES: CCNCCCCCCN
Structure:
CAS RN: 40039-79-0
CAS Name: 2-(4-iodophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
OPENEYE Name: 2-(4-iodophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
IUPAC Name: 2-(4-iodophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
SYSTEMATIC NAME: 2-(4-iodophenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
MOLECULAR FORMULA: C14H12INO2
MOLECULAR WEIGHT: 353.15505
SMILES: C1CCC2=C(C1)C(=O)N(C2=O)C3=CC=C(C=C3)I
Structure:
CAS RN: 40034-74-0
CAS Name: 7-(2,6-dimethyl-4-pyridinyl)-1-ethyl-4-oxo-3-quinolinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 7-(2,6-dimethyl-4-pyridyl)-1-ethyl-4-oxo-quinoline-3-carboxylate
IUPAC Name: ethyl 7-(2,6-dimethylpyridin-4-yl)-1-ethyl-4-oxoquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 7-(2,6-dimethylpyridin-4-yl)-1-ethyl-4-oxidanylidene-quinoline-3-carboxylate
MOLECULAR FORMULA: C21H22N2O3
MOLECULAR WEIGHT: 350.41098
SMILES: CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC(=NC(=C3)C)C)C(=O)OCC
Structure:
CAS RN: 40034-60-4
CAS Name: 2,6-dimethyl-4-(3-nitrophenyl)pyridine
OPENEYE Name: 2,6-dimethyl-4-(3-nitrophenyl)pyridine
IUPAC Name: 2,6-dimethyl-4-(3-nitrophenyl)pyridine
SYSTEMATIC NAME: 2,6-dimethyl-4-(3-nitrophenyl)pyridine
MOLECULAR FORMULA: C13H12N2O2
MOLECULAR WEIGHT: 228.24658
SMILES: CC1=CC(=CC(=N1)C)C2=CC(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 40034-52-4
CAS Name: 2-[[3-(2,6-dimethyl-4-pyridinyl)anilino]methylidene]propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-[[3-(2,6-dimethyl-4-pyridyl)anilino]methylene]propanedioate
IUPAC Name: diethyl 2-[[3-(2,6-dimethylpyridin-4-yl)anilino]methylidene]propanedioate
SYSTEMATIC NAME: diethyl 2-[[[3-(2,6-dimethylpyridin-4-yl)phenyl]amino]methylidene]propanedioate
MOLECULAR FORMULA: C21H24N2O4
MOLECULAR WEIGHT: 368.42626
SMILES: CCOC(=O)C(=CNC1=CC=CC(=C1)C2=CC(=NC(=C2)C)C)C(=O)OCC
Structure:
CAS RN: 40034-51-3
CAS Name: 3-(2,6-dimethyl-4-pyridinyl)aniline
OPENEYE Name: 3-(2,6-dimethyl-4-pyridyl)aniline
IUPAC Name: 3-(2,6-dimethylpyridin-4-yl)aniline
SYSTEMATIC NAME: 3-(2,6-dimethylpyridin-4-yl)aniline
MOLECULAR FORMULA: C13H14N2
MOLECULAR WEIGHT: 198.26366
SMILES: CC1=CC(=CC(=N1)C)C2=CC(=CC=C2)N
Structure:
CAS RN: 40034-50-2
CAS Name: 7-(2,6-dimethyl-4-pyridinyl)-1-ethyl-4-oxo-3-quinolinecarboxylic acid
OPENEYE Name: 7-(2,6-dimethyl-4-pyridyl)-1-ethyl-4-oxo-quinoline-3-carboxylic acid
IUPAC Name: 7-(2,6-dimethylpyridin-4-yl)-1-ethyl-4-oxoquinoline-3-carboxylic acid
SYSTEMATIC NAME: 7-(2,6-dimethylpyridin-4-yl)-1-ethyl-4-oxidanylidene-quinoline-3-carboxylic acid
MOLECULAR FORMULA: C19H18N2O3
MOLECULAR WEIGHT: 322.35782
SMILES: CCN1C=C(C(=O)C2=C1C=C(C=C2)C3=CC(=NC(=C3)C)C)C(=O)O
Structure:
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