CAS RN: 50415-69-5
CAS Name: 2-(4-nitrophenyl)propanoic acid methyl ester
OPENEYE Name: methyl 2-(4-nitrophenyl)propanoate
IUPAC Name: methyl 2-(4-nitrophenyl)propanoate
SYSTEMATIC NAME: methyl 2-(4-nitrophenyl)propanoate
MOLECULAR FORMULA: C10H11NO4
MOLECULAR WEIGHT: 209.19864
SMILES: CC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC
Structure:
CAS RN: 50407-30-2
CAS Name: 3-heptyne-2,5-diol
OPENEYE Name: hept-3-yne-2,5-diol
IUPAC Name: hept-3-yne-2,5-diol
SYSTEMATIC NAME: hept-3-yne-2,5-diol
MOLECULAR FORMULA: C7H12O2
MOLECULAR WEIGHT: 128.16898
SMILES: CCC(C#CC(C)O)O
Structure:
CAS RN: 50375-08-1
CAS Name: 1-chloro-3,5-diethoxybenzene
OPENEYE Name: 1-chloro-3,5-diethoxy-benzene
IUPAC Name: 1-chloro-3,5-diethoxybenzene
SYSTEMATIC NAME: 1-chloranyl-3,5-diethoxy-benzene
MOLECULAR FORMULA: C10H13ClO2
MOLECULAR WEIGHT: 200.66202
SMILES: CCOC1=CC(=CC(=C1)Cl)OCC
Structure:
CAS RN: 50337-85-4
CAS Name: 4,4-bis(4-fluorophenyl)-1-butanol
OPENEYE Name: 4,4-bis(4-fluorophenyl)butan-1-ol
IUPAC Name: 4,4-bis(4-fluorophenyl)butan-1-ol
SYSTEMATIC NAME: 4,4-bis(4-fluorophenyl)butan-1-ol
MOLECULAR FORMULA: C16H16F2O
MOLECULAR WEIGHT: 262.294446
SMILES: C1=CC(=CC=C1C(CCCO)C2=CC=C(C=C2)F)F
Structure:
CAS RN: 50285-18-2
CAS Name: 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pentane
OPENEYE Name: 1,1,1,2,2,3,4,5,5,5-decafluoro-3-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-4-(trifluoromethyl)pentane
IUPAC Name: 1,1,1,2,2,3,4,5,5,5-decafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pentane
SYSTEMATIC NAME: 1,1,1,2,2,3,4,5,5,5-decakis(fluoranyl)-3-[1,1,1,2,3,3,3-heptakis(fluoranyl)propan-2-yl]-4-(trifluoromethyl)pentane
MOLECULAR FORMULA: C9F20
MOLECULAR WEIGHT: 488.064364
SMILES: C(C(C(F)(F)F)(C(F)(F)F)F)(C(C(F)(F)F)(C(F)(F)F)F)(C(C(F)(F)F)(F)F)F
Structure:
CAS RN: 50274-96-9
CAS Name: 2-chloro-1-[(2,4-dichlorophenyl)methyl]-4-nitrobenzene
OPENEYE Name: 2-chloro-1-[(2,4-dichlorophenyl)methyl]-4-nitro-benzene
IUPAC Name: 2-chloro-1-[(2,4-dichlorophenyl)methyl]-4-nitrobenzene
SYSTEMATIC NAME: 2-chloranyl-1-[(2,4-dichlorophenyl)methyl]-4-nitro-benzene
MOLECULAR FORMULA: C13H8Cl3NO2
MOLECULAR WEIGHT: 316.56712
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)CC2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 50274-95-8
CAS Name: 2-chloro-1-(chloromethyl)-4-nitrobenzene
OPENEYE Name: 2-chloro-1-(chloromethyl)-4-nitro-benzene
IUPAC Name: 2-chloro-1-(chloromethyl)-4-nitrobenzene
SYSTEMATIC NAME: 2-chloranyl-1-(chloromethyl)-4-nitro-benzene
MOLECULAR FORMULA: C7H5Cl2NO2
MOLECULAR WEIGHT: 206.0261
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Cl)CCl
Structure:
CAS RN: 50274-85-6
CAS Name: (4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone
OPENEYE Name: (4-amino-2-chloro-phenyl)-(4-chlorophenyl)methanone
IUPAC Name: (4-amino-2-chlorophenyl)-(4-chlorophenyl)methanone
SYSTEMATIC NAME: (4-azanyl-2-chloranyl-phenyl)-(4-chlorophenyl)methanone
MOLECULAR FORMULA: C13H9Cl2NO
MOLECULAR WEIGHT: 266.12266
SMILES: C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2)N)Cl)Cl
Structure:
CAS RN: 50274-83-4
CAS Name: 3,4,5-trichloro-2-hydroxybenzoyl chloride
OPENEYE Name: 3,4,5-trichloro-2-hydroxy-benzoyl chloride
IUPAC Name: 3,4,5-trichloro-2-hydroxybenzoyl chloride
SYSTEMATIC NAME: 3,4,5-tris(chloranyl)-2-oxidanyl-benzoyl chloride
MOLECULAR FORMULA: C7H2Cl4O2
MOLECULAR WEIGHT: 259.90158
SMILES: C1=C(C(=C(C(=C1Cl)Cl)Cl)O)C(=O)Cl
Structure:
CAS RN: 50270-55-8
CAS Name: 2-(2,4,5-triphenyl-3-pyrazolyl)acetonitrile
OPENEYE Name: 2-(2,4,5-triphenylpyrazol-3-yl)acetonitrile
IUPAC Name: 2-(2,4,5-triphenylpyrazol-3-yl)acetonitrile
SYSTEMATIC NAME: 2-(2,4,5-triphenylpyrazol-3-yl)ethanenitrile
MOLECULAR FORMULA: C23H17N3
MOLECULAR WEIGHT: 335.40118
SMILES: C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=CC=C3)C4=CC=CC=C4)CC#N
Structure:
CAS RN: 49869-07-0
CAS Name: N'-[3-[tris(2-methoxyethoxy)silyl]propyl]ethane-1,2-diamine
OPENEYE Name: N'-[3-[tris(2-methoxyethoxy)silyl]propyl]ethane-1,2-diamine
IUPAC Name: N'-[3-[tris(2-methoxyethoxy)silyl]propyl]ethane-1,2-diamine
SYSTEMATIC NAME: N'-[3-[tris(2-methoxyethoxy)silyl]propyl]ethane-1,2-diamine
MOLECULAR FORMULA: C14H34N2O6Si
MOLECULAR WEIGHT: 354.51506
SMILES: COCCO[Si](CCCNCCN)(OCCOC)OCCOC
Structure:
CAS RN: 49865-92-1
CAS Name: 4-(2-hydroxyethylamino)phenol
OPENEYE Name: 4-(2-hydroxyethylamino)phenol
IUPAC Name: 4-(2-hydroxyethylamino)phenol
SYSTEMATIC NAME: 4-(2-hydroxyethylamino)phenol
MOLECULAR FORMULA: C8H11NO2
MOLECULAR WEIGHT: 153.17844
SMILES: C1=CC(=CC=C1NCCO)O
Structure:
CAS RN: 49831-04-1
CAS Name: benzoic acid 2-[(1,4-dihydroxy-9,10-dioxo-2-anthracenyl)thio]ethyl ester
OPENEYE Name: 2-[(1,4-dihydroxy-9,10-dioxo-2-anthryl)sulfanyl]ethyl benzoate
IUPAC Name: 2-(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)sulfanylethyl benzoate
SYSTEMATIC NAME: 2-[1,4-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]sulfanylethyl benzoate
MOLECULAR FORMULA: C23H16O6S
MOLECULAR WEIGHT: 420.43454
SMILES: C1=CC=C(C=C1)C(=O)OCCSC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)O
Structure:
CAS RN: 49791-98-2
CAS Name: 2-[[4-[2,4-bis(2-oxiranylmethoxy)phenyl]phenoxy]methyl]oxirane
OPENEYE Name: 2-[[4-[2,4-bis(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
IUPAC Name: 2-[[4-[2,4-bis(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
SYSTEMATIC NAME: 2-[[4-[2,4-bis(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
MOLECULAR FORMULA: C21H22O6
MOLECULAR WEIGHT: 370.39578
SMILES: C1C(O1)COC2=CC=C(C=C2)C3=C(C=C(C=C3)OCC4CO4)OCC5CO5
Structure:
CAS RN: 49781-38-6
CAS Name: 2-ethyl-5-(methoxymethyl)-4-pyrimidinamine
OPENEYE Name: 2-ethyl-5-(methoxymethyl)pyrimidin-4-amine
IUPAC Name: 2-ethyl-5-(methoxymethyl)pyrimidin-4-amine
SYSTEMATIC NAME: 2-ethyl-5-(methoxymethyl)pyrimidin-4-amine
MOLECULAR FORMULA: C8H13N3O
MOLECULAR WEIGHT: 167.20832
SMILES: CCC1=NC=C(C(=N1)N)COC
Structure:
CAS RN: 49773-24-2
CAS Name: 2-methyl-2-(methylthio)propanoic acid ethyl ester
OPENEYE Name: ethyl 2-methyl-2-methylsulfanyl-propanoate
IUPAC Name: ethyl 2-methyl-2-methylsulfanylpropanoate
SYSTEMATIC NAME: ethyl 2-methyl-2-methylsulfanyl-propanoate
MOLECULAR FORMULA: C7H14O2S
MOLECULAR WEIGHT: 162.24986
SMILES: CCOC(=O)C(C)(C)SC
Structure:
CAS RN: 49759-20-8
CAS Name: 1-(9-acridinyl)pyrrole-2,5-dione
OPENEYE Name: 1-acridin-9-ylpyrrole-2,5-dione
IUPAC Name: 1-acridin-9-ylpyrrole-2,5-dione
SYSTEMATIC NAME: 1-acridin-9-ylpyrrole-2,5-dione
MOLECULAR FORMULA: C17H10N2O2
MOLECULAR WEIGHT: 274.2735
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N4C(=O)C=CC4=O
Structure:
CAS RN: 49755-98-8
CAS Name: 3-[[[2-(methylamino)-2-oxoethyl]amino]-oxomethyl]-5-nitrobenzoic acid
OPENEYE Name: 3-[[2-(methylamino)-2-oxo-ethyl]carbamoyl]-5-nitro-benzoic acid
IUPAC Name: 3-[[2-(methylamino)-2-oxoethyl]carbamoyl]-5-nitrobenzoic acid
SYSTEMATIC NAME: 3-[[2-(methylamino)-2-oxidanylidene-ethyl]carbamoyl]-5-nitro-benzoic acid
MOLECULAR FORMULA: C11H11N3O6
MOLECULAR WEIGHT: 281.22154
SMILES: CNC(=O)CNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 49748-25-6
CAS Name: 1-methyl-2-methylene-3-(1-methylethenyl)-1-cyclopentanol
OPENEYE Name: 3-isopropenyl-1-methyl-2-methylene-cyclopentanol
IUPAC Name: 1-methyl-2-methylidene-3-prop-1-en-2-ylcyclopentan-1-ol
SYSTEMATIC NAME: 1-methyl-2-methylidene-3-prop-1-en-2-yl-cyclopentan-1-ol
MOLECULAR FORMULA: C10H16O
MOLECULAR WEIGHT: 152.23344
SMILES: CC(=C)C1CCC(C1=C)(C)O
Structure:
CAS RN: 49709-14-0
CAS Name: 2,12-bis(phenylmethyl)-1-cyclododecanone
OPENEYE Name: 2,12-dibenzylcyclododecanone
IUPAC Name: 2,12-dibenzylcyclododecan-1-one
SYSTEMATIC NAME: 2,12-bis(phenylmethyl)cyclododecan-1-one
MOLECULAR FORMULA: C26H34O
MOLECULAR WEIGHT: 362.54756
SMILES: C1CCCCC(C(=O)C(CCCC1)CC2=CC=CC=C2)CC3=CC=CC=C3
Structure:
CAS RN: 49709-10-6
CAS Name: 2,7-bis(phenylmethyl)-1-cycloheptanone
OPENEYE Name: 2,7-dibenzylcycloheptanone
IUPAC Name: 2,7-dibenzylcycloheptan-1-one
SYSTEMATIC NAME: 2,7-bis(phenylmethyl)cycloheptan-1-one
MOLECULAR FORMULA: C21H24O
MOLECULAR WEIGHT: 292.41466
SMILES: C1CCC(C(=O)C(C1)CC2=CC=CC=C2)CC3=CC=CC=C3
Structure:
CAS RN: 49701-19-1
CAS Name: 3-amino-N-(4-carbamoylphenyl)-4-methoxybenzamide
OPENEYE Name: 3-amino-N-(4-carbamoylphenyl)-4-methoxy-benzamide
IUPAC Name: 3-amino-N-(4-carbamoylphenyl)-4-methoxybenzamide
SYSTEMATIC NAME: N-(4-aminocarbonylphenyl)-3-azanyl-4-methoxy-benzamide
MOLECULAR FORMULA: C15H15N3O3
MOLECULAR WEIGHT: 285.2979
SMILES: COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)N)N
Structure:
CAS RN: 49690-63-3
CAS Name: phosphoric acid tris(2,3-dibromophenyl) ester
OPENEYE Name: tris(2,3-dibromophenyl) phosphate
IUPAC Name: tris(2,3-dibromophenyl) phosphate
SYSTEMATIC NAME: tris[2,3-bis(bromanyl)phenyl] phosphate
MOLECULAR FORMULA: C18H9Br6O4P
MOLECULAR WEIGHT: 799.659421
SMILES: C1=CC(=C(C(=C1)Br)Br)OP(=O)(OC2=C(C(=CC=C2)Br)Br)OC3=C(C(=CC=C3)Br)Br
Structure:
CAS RN: 49667-81-4
CAS Name: 2-amino-N-(2-hydroxyethyl)benzamide
OPENEYE Name: 2-amino-N-(2-hydroxyethyl)benzamide
IUPAC Name: 2-amino-N-(2-hydroxyethyl)benzamide
SYSTEMATIC NAME: 2-azanyl-N-(2-hydroxyethyl)benzamide
MOLECULAR FORMULA: C9H12N2O2
MOLECULAR WEIGHT: 180.20378
SMILES: C1=CC=C(C(=C1)C(=O)NCCO)N
Structure:
CAS RN: 49653-47-6
CAS Name: 2,2-dichloroacetic acid tert-butyl ester
OPENEYE Name: tert-butyl 2,2-dichloroacetate
IUPAC Name: tert-butyl 2,2-dichloroacetate
SYSTEMATIC NAME: tert-butyl 2,2-bis(chloranyl)ethanoate
MOLECULAR FORMULA: C6H10Cl2O2
MOLECULAR WEIGHT: 185.0484
SMILES: CC(C)(C)OC(=O)C(Cl)Cl
Structure:
CAS RN: 49625-21-0
CAS Name: 4-[[[4-[[(4-methoxy-2-nitroanilino)-oxomethyl]amino]phenyl]-oxomethyl]amino]butanoic acid
OPENEYE Name: 4-[[4-[(4-methoxy-2-nitro-phenyl)carbamoylamino]benzoyl]amino]butanoic acid
IUPAC Name: 4-[[4-[(4-methoxy-2-nitrophenyl)carbamoylamino]benzoyl]amino]butanoic acid
SYSTEMATIC NAME: 4-[[4-[(4-methoxy-2-nitro-phenyl)carbamoylamino]phenyl]carbonylamino]butanoic acid
MOLECULAR FORMULA: C19H20N4O7
MOLECULAR WEIGHT: 416.3847
SMILES: COC1=CC(=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=O)NCCCC(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 49610-67-5
CAS Name: 4-aminobenzoic acid 2-butoxyethyl ester
OPENEYE Name: 2-butoxyethyl 4-aminobenzoate
IUPAC Name: 2-butoxyethyl 4-aminobenzoate
SYSTEMATIC NAME: 2-butoxyethyl 4-azanylbenzoate
MOLECULAR FORMULA: C13H19NO3
MOLECULAR WEIGHT: 237.29486
SMILES: CCCCOCCOC(=O)C1=CC=C(C=C1)N
Structure:
CAS RN: 49594-70-9
CAS Name: 2-propenoic acid (2-nitrophenyl)methyl ester
OPENEYE Name: (2-nitrophenyl)methyl prop-2-enoate
IUPAC Name: (2-nitrophenyl)methyl prop-2-enoate
SYSTEMATIC NAME: (2-nitrophenyl)methyl prop-2-enoate
MOLECULAR FORMULA: C10H9NO4
MOLECULAR WEIGHT: 207.18276
SMILES: C=CC(=O)OCC1=CC=CC=C1[N+](=O)[O-]
Structure:
CAS RN: 49571-02-0
CAS Name: 1-[2-chloro-3-(2-methylpropoxy)propyl]pyrrolidine
OPENEYE Name: 1-(2-chloro-3-isobutoxy-propyl)pyrrolidine
IUPAC Name: 1-[2-chloro-3-(2-methylpropoxy)propyl]pyrrolidine
SYSTEMATIC NAME: 1-[2-chloranyl-3-(2-methylpropoxy)propyl]pyrrolidine
MOLECULAR FORMULA: C11H22ClNO
MOLECULAR WEIGHT: 219.75148
SMILES: CC(C)COCC(CN1CCCC1)Cl
Structure:
CAS RN: 49562-37-0
CAS Name: sulfuric acid (1-amino-2-methyl-1-oxopropan-2-yl) ester
OPENEYE Name: (2-amino-1,1-dimethyl-2-oxo-ethyl) hydrogen sulfate
IUPAC Name: (1-amino-2-methyl-1-oxopropan-2-yl) hydrogen sulfate
SYSTEMATIC NAME: (1-azanyl-2-methyl-1-oxidanylidene-propan-2-yl) hydrogen sulfate
MOLECULAR FORMULA: C4H9NO5S
MOLECULAR WEIGHT: 183.18296
SMILES: CC(C)(C(=O)N)OS(=O)(=O)O
Structure:
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