CAS RN: 31938-11-1
CAS Name: O-(triphenylmethyl)hydroxylamine
OPENEYE Name: O-tritylhydroxylamine
IUPAC Name: O-tritylhydroxylamine
SYSTEMATIC NAME: O-(triphenylmethyl)hydroxylamine
MOLECULAR FORMULA: C19H17NO
MOLECULAR WEIGHT: 275.34438
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)ON
Structure:
CAS RN: 31896-11-4
CAS Name: N-[2,2,2-trichloro-1-(1-piperazinyl)ethyl]formamide hydrochloride
OPENEYE Name: N-(2,2,2-trichloro-1-piperazin-1-yl-ethyl)formamide hydrochloride
IUPAC Name: N-(2,2,2-trichloro-1-piperazin-1-ylethyl)formamide hydrochloride
SYSTEMATIC NAME: N-[2,2,2-tris(chloranyl)-1-piperazin-1-yl-ethyl]methanamide hydrochloride
MOLECULAR FORMULA: C7H13Cl4N3O
MOLECULAR WEIGHT: 297.00962
SMILES: C1CN(CCN1)C(C(Cl)(Cl)Cl)NC=O.Cl
Structure:
CAS RN: 31894-64-1
CAS Name: 2-(3-benzoyl-2-hydroxyphenyl)propanoic acid
OPENEYE Name: 2-(3-benzoyl-2-hydroxy-phenyl)propanoic acid
IUPAC Name: 2-(3-benzoyl-2-hydroxyphenyl)propanoic acid
SYSTEMATIC NAME: 2-[2-oxidanyl-3-(phenylcarbonyl)phenyl]propanoic acid
MOLECULAR FORMULA: C16H14O4
MOLECULAR WEIGHT: 270.27996
SMILES: CC(C1=CC=CC(=C1O)C(=O)C2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 31881-96-6
CAS Name: 2-(4-chloro-2-methylphenoxy)acetic acid 3-methylbutyl ester
OPENEYE Name: isopentyl 2-(4-chloro-2-methyl-phenoxy)acetate
IUPAC Name: 3-methylbutyl 2-(4-chloro-2-methylphenoxy)acetate
SYSTEMATIC NAME: 3-methylbutyl 2-(4-chloranyl-2-methyl-phenoxy)ethanoate
MOLECULAR FORMULA: C14H19ClO3
MOLECULAR WEIGHT: 270.75186
SMILES: CC1=C(C=CC(=C1)Cl)OCC(=O)OCCC(C)C
Structure:
CAS RN: 31785-82-7
CAS Name: 1-amino-2-hydroxy-1-cyclopentanecarboxylic acid
OPENEYE Name: 1-amino-2-hydroxy-cyclopentanecarboxylic acid
IUPAC Name: 1-amino-2-hydroxycyclopentane-1-carboxylic acid
SYSTEMATIC NAME: 1-azanyl-2-oxidanyl-cyclopentane-1-carboxylic acid
MOLECULAR FORMULA: C6H11NO3
MOLECULAR WEIGHT: 145.15644
SMILES: C1CC(C(C1)(C(=O)O)N)O
Structure:
CAS RN: 31770-95-3
CAS Name: 5-methylsulfonyl-6-nitro-3H-1,3-benzoxazol-2-one
OPENEYE Name: 5-methylsulfonyl-6-nitro-3H-1,3-benzoxazol-2-one
IUPAC Name: 5-methylsulfonyl-6-nitro-3H-1,3-benzoxazol-2-one
SYSTEMATIC NAME: 5-methylsulfonyl-6-nitro-3H-1,3-benzoxazol-2-one
MOLECULAR FORMULA: C8H6N2O6S
MOLECULAR WEIGHT: 258.20804
SMILES: CS(=O)(=O)C1=C(C=C2C(=C1)NC(=O)O2)[N+](=O)[O-]
Structure:
CAS RN: 31768-46-4
CAS Name: 4-[(3-carbamoyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzoic acid ethyl ester
OPENEYE Name: ethyl 4-[(3-carbamoyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)azo]benzoate
IUPAC Name: ethyl 4-[(3-carbamoyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate
SYSTEMATIC NAME: ethyl 4-[(3-aminocarbonyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl)diazenyl]benzoate
MOLECULAR FORMULA: C19H17N5O4
MOLECULAR WEIGHT: 379.36938
SMILES: CCOC(=O)C1=CC=C(C=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C(=O)N
Structure:
CAS RN: 31737-09-4
CAS Name: 6-chloro-1-methylpyrimidine-2,4-dione
OPENEYE Name: 6-chloro-1-methyl-pyrimidine-2,4-dione
IUPAC Name: 6-chloro-1-methylpyrimidine-2,4-dione
SYSTEMATIC NAME: 6-chloranyl-1-methyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C5H5ClN2O2
MOLECULAR WEIGHT: 160.5584
SMILES: CN1C(=CC(=O)NC1=O)Cl
Structure:
CAS RN: 31704-82-2
CAS Name: 4-methyl-4-(5-methyl-2-furanyl)-2-pentanone
OPENEYE Name: 4-methyl-4-(5-methyl-2-furyl)pentan-2-one
IUPAC Name: 4-methyl-4-(5-methylfuran-2-yl)pentan-2-one
SYSTEMATIC NAME: 4-methyl-4-(5-methylfuran-2-yl)pentan-2-one
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CC1=CC=C(O1)C(C)(C)CC(=O)C
Structure:
CAS RN: 31633-72-4
CAS Name: 3-methyl-4-oxo-1-piperidinecarboxylic acid methyl ester
OPENEYE Name: methyl 3-methyl-4-oxo-piperidine-1-carboxylate
IUPAC Name: methyl 3-methyl-4-oxopiperidine-1-carboxylate
SYSTEMATIC NAME: methyl 3-methyl-4-oxidanylidene-piperidine-1-carboxylate
MOLECULAR FORMULA: C8H13NO3
MOLECULAR WEIGHT: 171.19372
SMILES: CC1CN(CCC1=O)C(=O)OC
Structure:
CAS RN: 31633-71-3
CAS Name: 3-methyl-4-oxopiperidine-1,3-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 3-methyl-4-oxo-piperidine-1,3-dicarboxylate
IUPAC Name: dimethyl 3-methyl-4-oxopiperidine-1,3-dicarboxylate
SYSTEMATIC NAME: dimethyl 3-methyl-4-oxidanylidene-piperidine-1,3-dicarboxylate
MOLECULAR FORMULA: C10H15NO5
MOLECULAR WEIGHT: 229.2298
SMILES: CC1(CN(CCC1=O)C(=O)OC)C(=O)OC
Structure:
CAS RN: 31633-70-2
CAS Name: 4-oxopiperidine-1,3-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 4-oxopiperidine-1,3-dicarboxylate
IUPAC Name: dimethyl 4-oxopiperidine-1,3-dicarboxylate
SYSTEMATIC NAME: dimethyl 4-oxidanylidenepiperidine-1,3-dicarboxylate
MOLECULAR FORMULA: C9H13NO5
MOLECULAR WEIGHT: 215.20322
SMILES: COC(=O)C1CN(CCC1=O)C(=O)OC
Structure:
CAS RN: 31620-85-6
CAS Name: 1,2,3-trichloro-4-ethoxybenzene
OPENEYE Name: 1,2,3-trichloro-4-ethoxy-benzene
IUPAC Name: 1,2,3-trichloro-4-ethoxybenzene
SYSTEMATIC NAME: 1,2,3-tris(chloranyl)-4-ethoxy-benzene
MOLECULAR FORMULA: C8H7Cl3O
MOLECULAR WEIGHT: 225.49958
SMILES: CCOC1=C(C(=C(C=C1)Cl)Cl)Cl
Structure:
CAS RN: 80638-08-0
CAS Name: N-methyl-N-[(2-nitrophenyl)methyl]cyclohexanamine
OPENEYE Name: N-methyl-N-[(2-nitrophenyl)methyl]cyclohexanamine
IUPAC Name: N-methyl-N-[(2-nitrophenyl)methyl]cyclohexanamine
SYSTEMATIC NAME: N-methyl-N-[(2-nitrophenyl)methyl]cyclohexanamine
MOLECULAR FORMULA: C14H20N2O2
MOLECULAR WEIGHT: 248.3208
SMILES: CN(CC1=CC=CC=C1[N+](=O)[O-])C2CCCCC2
Structure:
CAS RN: 31611-42-4
CAS Name: N-methyl-N-[(2-nitrophenyl)methyl]cyclohexanamine hydrochloride
OPENEYE Name: N-methyl-N-[(2-nitrophenyl)methyl]cyclohexanamine hydrochloride
IUPAC Name: N-methyl-N-[(2-nitrophenyl)methyl]cyclohexanamine hydrochloride
SYSTEMATIC NAME: N-methyl-N-[(2-nitrophenyl)methyl]cyclohexanamine hydrochloride
MOLECULAR FORMULA: C14H21ClN2O2
MOLECULAR WEIGHT: 284.78174
SMILES: CN(CC1=CC=CC=C1[N+](=O)[O-])C2CCCCC2.Cl
Structure:
CAS RN: 31603-00-6
CAS Name: 4-butyl-1-phenyl-2-(4-phenylmethoxyphenyl)pyrazolidine-3,5-dione
OPENEYE Name: 1-(4-benzyloxyphenyl)-4-butyl-2-phenyl-pyrazolidine-3,5-dione
IUPAC Name: 4-butyl-1-phenyl-2-(4-phenylmethoxyphenyl)pyrazolidine-3,5-dione
SYSTEMATIC NAME: 4-butyl-1-phenyl-2-(4-phenylmethoxyphenyl)pyrazolidine-3,5-dione
MOLECULAR FORMULA: C26H26N2O3
MOLECULAR WEIGHT: 414.49624
SMILES: CCCCC1C(=O)N(N(C1=O)C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 31558-40-4
CAS Name: 4-bromo-3,5-dimethoxybenzaldehyde
OPENEYE Name: 4-bromo-3,5-dimethoxy-benzaldehyde
IUPAC Name: 4-bromo-3,5-dimethoxybenzaldehyde
SYSTEMATIC NAME: 4-bromanyl-3,5-dimethoxy-benzaldehyde
MOLECULAR FORMULA: C9H9BrO3
MOLECULAR WEIGHT: 245.06996
SMILES: COC1=CC(=CC(=C1Br)OC)C=O
Structure:
CAS RN: 31555-99-4
CAS Name: 5-ethyl-5-(4-oxopentan-2-yl)-1,3-diazinane-2,4,6-trione
OPENEYE Name: 5-ethyl-5-(1-methyl-3-oxo-butyl)hexahydropyrimidine-2,4,6-trione
IUPAC Name: 5-ethyl-5-(4-oxopentan-2-yl)-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 5-ethyl-5-(4-oxidanylidenepentan-2-yl)-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C11H16N2O4
MOLECULAR WEIGHT: 240.25574
SMILES: CCC1(C(=O)NC(=O)NC1=O)C(C)CC(=O)C
Structure:
CAS RN: 31522-24-4
CAS Name: 3-(3-aminophenyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-oxopropanamide
OPENEYE Name: 3-(3-aminophenyl)-N-(4-chloro-2,5-dimethoxy-phenyl)-3-oxo-propanamide
IUPAC Name: 3-(3-aminophenyl)-N-(4-chloro-2,5-dimethoxyphenyl)-3-oxopropanamide
SYSTEMATIC NAME: 3-(3-aminophenyl)-N-(4-chloranyl-2,5-dimethoxy-phenyl)-3-oxidanylidene-propanamide
MOLECULAR FORMULA: C17H17ClN2O4
MOLECULAR WEIGHT: 348.78088
SMILES: COC1=CC(=C(C=C1NC(=O)CC(=O)C2=CC(=CC=C2)N)OC)Cl
Structure:
CAS RN: 31522-10-8
CAS Name: N-[4-methyl-1-(4-methylsulfonylphenyl)-5-oxo-4H-pyrazol-3-yl]carbamic acid 2-(4-chloro-5-methyl-2-tetradecylphenoxy)ethyl ester
OPENEYE Name: 2-(4-chloro-5-methyl-2-tetradecyl-phenoxy)ethyl N-[4-methyl-1-(4-methylsulfonylphenyl)-5-oxo-4H-pyrazol-3-yl]carbamate
IUPAC Name: 2-(4-chloro-5-methyl-2-tetradecylphenoxy)ethyl N-[4-methyl-1-(4-methylsulfonylphenyl)-5-oxo-4H-pyrazol-3-yl]carbamate
SYSTEMATIC NAME: 2-(4-chloranyl-5-methyl-2-tetradecyl-phenoxy)ethyl N-[4-methyl-1-(4-methylsulfonylphenyl)-5-oxidanylidene-4H-pyrazol-3-yl]carbamate
MOLECULAR FORMULA: C35H50ClN3O6S
MOLECULAR WEIGHT: 676.306
SMILES: CCCCCCCCCCCCCCC1=C(C=C(C(=C1)Cl)C)OCCOC(=O)NC2=NN(C(=O)C2C)C3=CC=C(C=C3)S(=O)(=O)C
Structure:
CAS RN: 31522-07-3
CAS Name: 4-chloro-5-methyl-2-tetradecylphenol
OPENEYE Name: 4-chloro-5-methyl-2-tetradecyl-phenol
IUPAC Name: 4-chloro-5-methyl-2-tetradecylphenol
SYSTEMATIC NAME: 4-chloranyl-5-methyl-2-tetradecyl-phenol
MOLECULAR FORMULA: C21H35ClO
MOLECULAR WEIGHT: 338.955
SMILES: CCCCCCCCCCCCCCC1=C(C=C(C(=C1)Cl)C)O
Structure:
CAS RN: 31522-06-2
CAS Name: 5-amino-4-methyl-2-(4-methylsulfonylphenyl)-4H-pyrazol-3-one
OPENEYE Name: 5-amino-4-methyl-2-(4-methylsulfonylphenyl)-4H-pyrazol-3-one
IUPAC Name: 5-amino-4-methyl-2-(4-methylsulfonylphenyl)-4H-pyrazol-3-one
SYSTEMATIC NAME: 5-azanyl-4-methyl-2-(4-methylsulfonylphenyl)-4H-pyrazol-3-one
MOLECULAR FORMULA: C11H13N3O3S
MOLECULAR WEIGHT: 267.30422
SMILES: CC1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)C)N
Structure:
CAS RN: 31499-97-5
CAS Name: 2-ethyl-N,N-dimethylbutanamide
OPENEYE Name: 2-ethyl-N,N-dimethyl-butanamide
IUPAC Name: 2-ethyl-N,N-dimethylbutanamide
SYSTEMATIC NAME: 2-ethyl-N,N-dimethyl-butanamide
MOLECULAR FORMULA: C8H17NO
MOLECULAR WEIGHT: 143.22668
SMILES: CCC(CC)C(=O)N(C)C
Structure:
CAS RN: 31468-33-4
CAS Name: 3-methyloxane-2,6-dione
OPENEYE Name: 3-methyltetrahydropyran-2,6-dione
IUPAC Name: 3-methyloxane-2,6-dione
SYSTEMATIC NAME: 3-methyloxane-2,6-dione
MOLECULAR FORMULA: C6H8O3
MOLECULAR WEIGHT: 128.12592
SMILES: CC1CCC(=O)OC1=O
Structure:
CAS RN: 31464-31-0
CAS Name: N-methyl-4-(4-nitrophenyl)azoaniline
OPENEYE Name: N-methyl-4-(4-nitrophenyl)azo-aniline
IUPAC Name: N-methyl-4-[(4-nitrophenyl)diazenyl]aniline
SYSTEMATIC NAME: N-methyl-4-[(4-nitrophenyl)diazenyl]aniline
MOLECULAR FORMULA: C13H12N4O2
MOLECULAR WEIGHT: 256.25998
SMILES: CNC1=CC=C(C=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 28128-19-0
CAS Name: 3,7-dihydropurine-2-thione
OPENEYE Name: 3,7-dihydropurine-2-thione
IUPAC Name: 3,7-dihydropurine-2-thione
SYSTEMATIC NAME: 3,7-dihydropurine-2-thione
MOLECULAR FORMULA: C5H4N4S
MOLECULAR WEIGHT: 152.17706
SMILES: C1=NC(=S)NC2=C1NC=N2
Structure:
CAS RN: 31434-97-6
CAS Name: N-phenyl-1-(2,3,4-trimethoxyphenyl)methanimine
OPENEYE Name: N-phenyl-1-(2,3,4-trimethoxyphenyl)methanimine
IUPAC Name: N-phenyl-1-(2,3,4-trimethoxyphenyl)methanimine
SYSTEMATIC NAME: N-phenyl-1-(2,3,4-trimethoxyphenyl)methanimine
MOLECULAR FORMULA: C16H17NO3
MOLECULAR WEIGHT: 271.31108
SMILES: COC1=C(C(=C(C=C1)C=NC2=CC=CC=C2)OC)OC
Structure:
CAS RN: 31431-26-2
CAS Name: (4-amino-3-nitrophenyl)-(4-fluorophenyl)methanone
OPENEYE Name: (4-amino-3-nitro-phenyl)-(4-fluorophenyl)methanone
IUPAC Name: (4-amino-3-nitrophenyl)-(4-fluorophenyl)methanone
SYSTEMATIC NAME: (4-azanyl-3-nitro-phenyl)-(4-fluorophenyl)methanone
MOLECULAR FORMULA: C13H9FN2O3
MOLECULAR WEIGHT: 260.220563
SMILES: C1=CC(=CC=C1C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])F
Structure:
CAS RN: 31431-23-9
CAS Name: (4-amino-3-nitrophenyl)-cyclopropylmethanone
OPENEYE Name: (4-amino-3-nitro-phenyl)-cyclopropyl-methanone
IUPAC Name: (4-amino-3-nitrophenyl)-cyclopropylmethanone
SYSTEMATIC NAME: (4-azanyl-3-nitro-phenyl)-cyclopropyl-methanone
MOLECULAR FORMULA: C10H10N2O3
MOLECULAR WEIGHT: 206.198
SMILES: C1CC1C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-]
Structure:
CAS RN: 31431-16-0
CAS Name: (4-chloro-3-nitrophenyl)-(4-fluorophenyl)methanone
OPENEYE Name: (4-chloro-3-nitro-phenyl)-(4-fluorophenyl)methanone
IUPAC Name: (4-chloro-3-nitrophenyl)-(4-fluorophenyl)methanone
SYSTEMATIC NAME: (4-chloranyl-3-nitro-phenyl)-(4-fluorophenyl)methanone
MOLECULAR FORMULA: C13H7ClFNO3
MOLECULAR WEIGHT: 279.650983
SMILES: C1=CC(=CC=C1C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])F
Structure:
CAS RN: 31404-59-8
CAS Name: 2-acetyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
OPENEYE Name: 2-acetyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
IUPAC Name: 2-acetyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
SYSTEMATIC NAME: 2-ethanoyl-3,4-dihydro-1H-isoquinoline-7-sulfonamide
MOLECULAR FORMULA: C11H14N2O3S
MOLECULAR WEIGHT: 254.30546
SMILES: CC(=O)N1CCC2=C(C1)C=C(C=C2)S(=O)(=O)N
Structure:
CAS RN: 31366-39-9
CAS Name: 4-amino-N-(4-nitrophenyl)benzamide
OPENEYE Name: 4-amino-N-(4-nitrophenyl)benzamide
IUPAC Name: 4-amino-N-(4-nitrophenyl)benzamide
SYSTEMATIC NAME: 4-azanyl-N-(4-nitrophenyl)benzamide
MOLECULAR FORMULA: C13H11N3O3
MOLECULAR WEIGHT: 257.24474
SMILES: C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N
Structure:
CAS RN: 31344-57-7
CAS Name: 1-ethyl-2,3-dinitrobenzene
OPENEYE Name: 1-ethyl-2,3-dinitro-benzene
IUPAC Name: 1-ethyl-2,3-dinitrobenzene
SYSTEMATIC NAME: 1-ethyl-2,3-dinitro-benzene
MOLECULAR FORMULA: C8H8N2O4
MOLECULAR WEIGHT: 196.16012
SMILES: CCC1=C(C(=CC=C1)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 31334-48-2
CAS Name: 1-[1-(2-methylpropoxy)propan-2-yloxy]-2-propanol
OPENEYE Name: 1-(2-isobutoxy-1-methyl-ethoxy)propan-2-ol
IUPAC Name: 1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-ol
SYSTEMATIC NAME: 1-[1-(2-methylpropoxy)propan-2-yloxy]propan-2-ol
MOLECULAR FORMULA: C10H22O3
MOLECULAR WEIGHT: 190.27988
SMILES: CC(C)COCC(C)OCC(C)O
Structure:
CAS RN: 31314-15-5
CAS Name: 2-(octadecylamino)ethanol
OPENEYE Name: 2-(octadecylamino)ethanol
IUPAC Name: 2-(octadecylamino)ethanol
SYSTEMATIC NAME: 2-(octadecylamino)ethanol
MOLECULAR FORMULA: C20H43NO
MOLECULAR WEIGHT: 313.56152
SMILES: CCCCCCCCCCCCCCCCCCNCCO
Structure:
CAS RN: 528-94-9
CAS Name: ammonium 2-hydroxybenzoate
OPENEYE Name: ammonium 2-hydroxybenzoate
IUPAC Name: azanium 2-hydroxybenzoate
SYSTEMATIC NAME: azanium 2-oxidanylbenzoate
MOLECULAR FORMULA: C7H9NO3
MOLECULAR WEIGHT: 155.15126
SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[NH4+]
Structure:
CAS RN: 31295-34-8
CAS Name: ammonium 2-hydroxybenzoate
OPENEYE Name: ammonium 2-hydroxybenzoate
IUPAC Name: azanium 2-hydroxybenzoate
SYSTEMATIC NAME: azanium 2-oxidanylbenzoate
MOLECULAR FORMULA: C7H9NO3
MOLECULAR WEIGHT: 155.15126
SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[NH4+]
Structure:
CAS RN: 31242-17-8
CAS Name: magnesium 2-octadecylbenzenesulfonate
OPENEYE Name: magnesium 2-octadecylbenzenesulfonate
IUPAC Name: magnesium 2-octadecylbenzenesulfonate
SYSTEMATIC NAME: magnesium 2-octadecylbenzenesulfonate
MOLECULAR FORMULA: C24H41MgO3S+
MOLECULAR WEIGHT: 433.95054
SMILES: CCCCCCCCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].[Mg+2]
Structure:
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