CAS RN: 22064-40-0
CAS Name: 2-(2-amino-2-oxoethoxy)acetic acid
OPENEYE Name: 2-(2-amino-2-oxo-ethoxy)acetic acid
IUPAC Name: 2-(2-amino-2-oxoethoxy)acetic acid
SYSTEMATIC NAME: 2-(2-azanyl-2-oxidanylidene-ethoxy)ethanoic acid
MOLECULAR FORMULA: C4H7NO4
MOLECULAR WEIGHT: 133.10268
SMILES: C(C(=O)N)OCC(=O)O
Structure:
CAS RN: 51513-55-4
CAS Name: 9-[[(4-methylphenyl)thio]methyl]anthracene
OPENEYE Name: 9-(p-tolylsulfanylmethyl)anthracene
IUPAC Name: 9-[(4-methylphenyl)sulfanylmethyl]anthracene
SYSTEMATIC NAME: 9-[(4-methylphenyl)sulfanylmethyl]anthracene
MOLECULAR FORMULA: C22H18S
MOLECULAR WEIGHT: 314.44332
SMILES: CC1=CC=C(C=C1)SCC2=C3C=CC=CC3=CC4=CC=CC=C42
Structure:
CAS RN: 480-37-5
CAS Name: 5-hydroxy-7-methoxy-2-phenyl-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: 5-hydroxy-7-methoxy-2-phenyl-chroman-4-one
IUPAC Name: 5-hydroxy-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: 7-methoxy-5-oxidanyl-2-phenyl-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C16H14O4
MOLECULAR WEIGHT: 270.27996
SMILES: COC1=CC(=C2C(=O)CC(OC2=C1)C3=CC=CC=C3)O
Structure:
CAS RN: 481-97-0
CAS Name: (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) sulfate
OPENEYE Name: (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) sulfate
IUPAC Name: (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) sulfate
SYSTEMATIC NAME: (13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) sulfate
MOLECULAR FORMULA: C18H21O5S-
MOLECULAR WEIGHT: 349.42134
SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)[O-]
Structure:
CAS RN: 1210-47-5
CAS Name: 4-(tert-butylthio)-7-chloroquinoline
OPENEYE Name: 4-tert-butylsulfanyl-7-chloro-quinoline
IUPAC Name: 4-tert-butylsulfanyl-7-chloroquinoline
SYSTEMATIC NAME: 4-tert-butylsulfanyl-7-chloranyl-quinoline
MOLECULAR FORMULA: C13H14ClNS
MOLECULAR WEIGHT: 251.77496
SMILES: CC(C)(C)SC1=C2C=CC(=CC2=NC=C1)Cl
Structure:
CAS RN: 90002-36-1
CAS Name: (2-ethylphenyl)boronic acid
OPENEYE Name: (2-ethylphenyl)boronic acid
IUPAC Name: (2-ethylphenyl)boronic acid
SYSTEMATIC NAME: (2-ethylphenyl)boronic acid
MOLECULAR FORMULA: C8H11BO2
MOLECULAR WEIGHT: 149.98274
SMILES: B(C1=CC=CC=C1CC)(O)O
Structure:
CAS RN: 134150-01-9
CAS Name: (4-propylphenyl)boronic acid
OPENEYE Name: (4-propylphenyl)boronic acid
IUPAC Name: (4-propylphenyl)boronic acid
SYSTEMATIC NAME: (4-propylphenyl)boronic acid
MOLECULAR FORMULA: C9H13BO2
MOLECULAR WEIGHT: 164.00932
SMILES: B(C1=CC=C(C=C1)CCC)(O)O
Structure:
CAS RN: 111753-60-7
CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]benzoic acid methyl ester
OPENEYE Name: methyl 2-[[3-(1,3-benzodioxol-5-yl)-2-methyl-propylidene]amino]benzoate
IUPAC Name: methyl 2-[[3-(1,3-benzodioxol-5-yl)-2-methylpropylidene]amino]benzoate
SYSTEMATIC NAME: methyl 2-[[3-(1,3-benzodioxol-5-yl)-2-methyl-propylidene]amino]benzoate
MOLECULAR FORMULA: C19H19NO4
MOLECULAR WEIGHT: 325.35846
SMILES: CC(CC1=CC2=C(C=C1)OCO2)C=NC3=CC=CC=C3C(=O)OC
Structure:
CAS RN: 185854-45-9
CAS Name: 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetic acid
OPENEYE Name: 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetic acid
IUPAC Name: 2-(1,2,3,4-tetrahydroquinolin-2-yl)acetic acid
SYSTEMATIC NAME: 2-(1,2,3,4-tetrahydroquinolin-2-yl)ethanoic acid
MOLECULAR FORMULA: C11H13NO2
MOLECULAR WEIGHT: 191.22642
SMILES: C1CC2=CC=CC=C2NC1CC(=O)O
Structure:
CAS RN: 6188-02-9
CAS Name: 2-[[oxo(3-pyridinyl)methyl]amino]benzoate
OPENEYE Name: 2-(pyridine-3-carbonylamino)benzoate
IUPAC Name: 2-(pyridine-3-carbonylamino)benzoate
SYSTEMATIC NAME: 2-(pyridin-3-ylcarbonylamino)benzoate
MOLECULAR FORMULA: C13H9N2O3-
MOLECULAR WEIGHT: 241.22216
SMILES: C1=CC=C(C(=C1)C(=O)[O-])NC(=O)C2=CN=CC=C2
Structure:
CAS RN: 57416-13-4
CAS Name: hexadecanoic acid [2-(1-oxohexadecoxy)-3-(1-oxotetradecoxy)propyl] ester
OPENEYE Name: (2-hexadecanoyloxy-3-tetradecanoyloxy-propyl) hexadecanoate
IUPAC Name: (2-hexadecanoyloxy-3-tetradecanoyloxypropyl) hexadecanoate
SYSTEMATIC NAME: (2-hexadecanoyloxy-3-tetradecanoyloxy-propyl) hexadecanoate
MOLECULAR FORMULA: C49H94O6
MOLECULAR WEIGHT: 779.26706
SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
Structure:
CAS RN: 183111-59-3
CAS Name: 3-chloro-N-(2-naphthalenyl)propanamide
OPENEYE Name: 3-chloro-N-(2-naphthyl)propanamide
IUPAC Name: 3-chloro-N-naphthalen-2-ylpropanamide
SYSTEMATIC NAME: 3-chloranyl-N-naphthalen-2-yl-propanamide
MOLECULAR FORMULA: C13H12ClNO
MOLECULAR WEIGHT: 233.69348
SMILES: C1=CC=C2C=C(C=CC2=C1)NC(=O)CCCl
Structure:
CAS RN: 2386-54-1
CAS Name: sodium 1-butanesulfonate
OPENEYE Name: sodium butane-1-sulfonate
IUPAC Name: sodium butane-1-sulfonate
SYSTEMATIC NAME: sodium butane-1-sulfonate
MOLECULAR FORMULA: C4H9NaO3S
MOLECULAR WEIGHT: 160.16723
SMILES: CCCCS(=O)(=O)[O-].[Na+]
Structure:
CAS RN: 40332-16-9
CAS Name: 2-(1-benzimidazolyl)acetate
OPENEYE Name: 2-(benzimidazol-1-yl)acetate
IUPAC Name: 2-(benzimidazol-1-yl)acetate
SYSTEMATIC NAME: 2-(benzimidazol-1-yl)ethanoate
MOLECULAR FORMULA: C9H7N2O2-
MOLECULAR WEIGHT: 175.16408
SMILES: C1=CC=C2C(=C1)N=CN2CC(=O)[O-]
Structure:
CAS RN: 37436-96-7
CAS Name: 7-chloro-1H-imidazo[4,5-b]pyridin-5-amine
OPENEYE Name: 7-chloro-1H-imidazo[4,5-b]pyridin-5-amine
IUPAC Name: 7-chloro-1H-imidazo[4,5-b]pyridin-5-amine
SYSTEMATIC NAME: 7-chloranyl-1H-imidazo[4,5-b]pyridin-5-amine
MOLECULAR FORMULA: C6H5ClN4
MOLECULAR WEIGHT: 168.5837
SMILES: C1=C(C2=C(N=CN2)N=C1N)Cl
Structure:
CAS RN: 22246-79-3
CAS Name: 8-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one
OPENEYE Name: 8-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one
IUPAC Name: 8-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one
SYSTEMATIC NAME: 8-nitro-1,3,4,5-tetrahydro-1-benzazepin-2-one
MOLECULAR FORMULA: C10H10N2O3
MOLECULAR WEIGHT: 206.198
SMILES: C1CC2=C(C=C(C=C2)[N+](=O)[O-])NC(=O)C1
Structure:
CAS RN: 51138-16-0
CAS Name: 2-(2-nitroanilino)ethylammonium
OPENEYE Name: 2-(2-nitroanilino)ethylammonium
IUPAC Name: 2-(2-nitroanilino)ethylazanium
SYSTEMATIC NAME: 2-[(2-nitrophenyl)amino]ethylazanium
MOLECULAR FORMULA: C8H12N3O2+
MOLECULAR WEIGHT: 182.19978
SMILES: C1=CC=C(C(=C1)NCC[NH3+])[N+](=O)[O-]
Structure:
CAS RN: 69922-25-4
CAS Name: 1-chloro-2-fluoro-3-isocyanatobenzene
OPENEYE Name: 1-chloro-2-fluoro-3-isocyanato-benzene
IUPAC Name: 1-chloro-2-fluoro-3-isocyanatobenzene
SYSTEMATIC NAME: 1-chloranyl-2-fluoranyl-3-isocyanato-benzene
MOLECULAR FORMULA: C7H3ClFNO
MOLECULAR WEIGHT: 171.556223
SMILES: C1=CC(=C(C(=C1)Cl)F)N=C=O
Structure:
CAS RN: 75056-98-3
CAS Name: 4-hydroxy-2,6-dimethylbenzoic acid ethyl ester
OPENEYE Name: ethyl 4-hydroxy-2,6-dimethyl-benzoate
IUPAC Name: ethyl 4-hydroxy-2,6-dimethylbenzoate
SYSTEMATIC NAME: ethyl 2,6-dimethyl-4-oxidanyl-benzoate
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: CCOC(=O)C1=C(C=C(C=C1C)O)C
Structure:
CAS RN: 67831-84-9
CAS Name: 2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
OPENEYE Name: 2-thioxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
IUPAC Name: 2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-sulfanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C6H5N3OS
MOLECULAR WEIGHT: 167.1884
SMILES: C1=CNC2=C1C(=O)NC(=S)N2
Structure:
CAS RN: 90765-59-6
CAS Name: 2-(3-aminopropyl)phenol
OPENEYE Name: 2-(3-aminopropyl)phenol
IUPAC Name: 2-(3-aminopropyl)phenol
SYSTEMATIC NAME: 2-(3-azanylpropyl)phenol
MOLECULAR FORMULA: C9H13NO
MOLECULAR WEIGHT: 151.20562
SMILES: C1=CC=C(C(=C1)CCCN)O
Structure:
CAS RN: 104678-13-9
CAS Name: 2-(methoxymethyl)piperidine
OPENEYE Name: 2-(methoxymethyl)piperidine
IUPAC Name: 2-(methoxymethyl)piperidine
SYSTEMATIC NAME: 2-(methoxymethyl)piperidine
MOLECULAR FORMULA: C7H15NO
MOLECULAR WEIGHT: 129.2001
SMILES: COCC1CCCCN1
Structure:
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