CAS RN: 1736-87-4
CAS Name: 1-fluoro-2,3-dimethyl-4-nitrobenzene
OPENEYE Name: 1-fluoro-2,3-dimethyl-4-nitro-benzene
IUPAC Name: 1-fluoro-2,3-dimethyl-4-nitrobenzene
SYSTEMATIC NAME: 1-fluoranyl-2,3-dimethyl-4-nitro-benzene
MOLECULAR FORMULA: C8H8FNO2
MOLECULAR WEIGHT: 169.153023
SMILES: CC1=C(C=CC(=C1C)F)[N+](=O)[O-]
Structure:
CAS RN: 71989-97-4
CAS Name: (E)-3-(3,4,5-trimethoxyphenyl)-2-propenoic acid [(E)-1-oxo-3-(3,4,5-trimethoxyphenyl)prop-2-enyl] ester
OPENEYE Name: [(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
IUPAC Name: [(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
MOLECULAR FORMULA: C24H26O9
MOLECULAR WEIGHT: 458.45784
SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)OC(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC
Structure:
CAS RN: 102879-44-7
CAS Name: 3-(3-aminophenyl)propanoic acid hydrochloride
OPENEYE Name: 3-(3-aminophenyl)propanoic acid hydrochloride
IUPAC Name: 3-(3-aminophenyl)propanoic acid hydrochloride
SYSTEMATIC NAME: 3-(3-aminophenyl)propanoic acid hydrochloride
MOLECULAR FORMULA: C9H12ClNO2
MOLECULAR WEIGHT: 201.65008
SMILES: C1=CC(=CC(=C1)N)CCC(=O)O.Cl
Structure:
CAS RN: 1008773-79-2
CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclobutanecarboxylic acid
OPENEYE Name: 3-(tert-butoxycarbonylamino)cyclobutanecarboxylic acid
IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C10H17NO4
MOLECULAR WEIGHT: 215.24628
SMILES: CC(C)(C)OC(=O)NC1CC(C1)C(=O)O
Structure:
CAS RN: 946152-72-3
CAS Name: 3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-cyclobutanecarboxylic acid
OPENEYE Name: 3-(tert-butoxycarbonylamino)cyclobutanecarboxylic acid
IUPAC Name: 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
SYSTEMATIC NAME: 3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
MOLECULAR FORMULA: C10H17NO4
MOLECULAR WEIGHT: 215.24628
SMILES: CC(C)(C)OC(=O)NC1CC(C1)C(=O)O
Structure:
CAS RN: 80407-67-6
CAS Name: 3-(2-methoxyethoxy)benzonitrile
OPENEYE Name: 3-(2-methoxyethoxy)benzonitrile
IUPAC Name: 3-(2-methoxyethoxy)benzonitrile
SYSTEMATIC NAME: 3-(2-methoxyethoxy)benzenecarbonitrile
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: COCCOC1=CC=CC(=C1)C#N
Structure:
CAS RN: 1017021-42-9
CAS Name: 1-[cyclobutyl(oxo)methyl]-4-piperidinone
OPENEYE Name: 1-(cyclobutanecarbonyl)piperidin-4-one
IUPAC Name: 1-(cyclobutanecarbonyl)piperidin-4-one
SYSTEMATIC NAME: 1-cyclobutylcarbonylpiperidin-4-one
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: C1CC(C1)C(=O)N2CCC(=O)CC2
Structure:
CAS RN: 5815-63-4
CAS Name: N'-hydroxy-2-(4-morpholinyl)ethanimidamide
OPENEYE Name: N'-hydroxy-2-morpholino-acetamidine
IUPAC Name: N'-hydroxy-2-morpholin-4-ylethanimidamide
SYSTEMATIC NAME: 2-morpholin-4-yl-N'-oxidanyl-ethanimidamide
MOLECULAR FORMULA: C6H13N3O2
MOLECULAR WEIGHT: 159.18632
SMILES: C1COCCN1C/C(=N/O)/N
Structure:
CAS RN: 933701-05-4
CAS Name: [1-(1-piperidinyl)cyclopentyl]methanamine
OPENEYE Name: [1-(1-piperidyl)cyclopentyl]methanamine
IUPAC Name: (1-piperidin-1-ylcyclopentyl)methanamine
SYSTEMATIC NAME: (1-piperidin-1-ylcyclopentyl)methanamine
MOLECULAR FORMULA: C11H22N2
MOLECULAR WEIGHT: 182.30578
SMILES: C1CCN(CC1)C2(CCCC2)CN
Structure:
CAS RN: 933724-18-6
CAS Name: 2-methyl-2-(4-methyl-1-piperidinyl)-1-propanamine
OPENEYE Name: 2-methyl-2-(4-methyl-1-piperidyl)propan-1-amine
IUPAC Name: 2-methyl-2-(4-methylpiperidin-1-yl)propan-1-amine
SYSTEMATIC NAME: 2-methyl-2-(4-methylpiperidin-1-yl)propan-1-amine
MOLECULAR FORMULA: C10H22N2
MOLECULAR WEIGHT: 170.29508
SMILES: CC1CCN(CC1)C(C)(C)CN
Structure:
CAS RN: 809279-05-8
CAS Name: 2-ethylsulfonylpropanoic acid
OPENEYE Name: 2-ethylsulfonylpropanoic acid
IUPAC Name: 2-ethylsulfonylpropanoic acid
SYSTEMATIC NAME: 2-ethylsulfonylpropanoic acid
MOLECULAR FORMULA: C5H10O4S
MOLECULAR WEIGHT: 166.1955
SMILES: CCS(=O)(=O)C(C)C(=O)O
Structure:
CAS RN: 650579-66-1
CAS Name: N'-hydroxy-2-(4-methyl-1-piperazinyl)ethanimidamide
OPENEYE Name: N'-hydroxy-2-(4-methylpiperazin-1-yl)acetamidine
IUPAC Name: N'-hydroxy-2-(4-methylpiperazin-1-yl)ethanimidamide
SYSTEMATIC NAME: 2-(4-methylpiperazin-1-yl)-N'-oxidanyl-ethanimidamide
MOLECULAR FORMULA: C7H16N4O
MOLECULAR WEIGHT: 172.22814
SMILES: CN1CCN(CC1)C/C(=N/O)/N
Structure:
CAS RN: 749927-69-3
CAS Name: 4-bromo-2-fluoro-N-methylbenzamide
OPENEYE Name: 4-bromo-2-fluoro-N-methyl-benzamide
IUPAC Name: 4-bromo-2-fluoro-N-methylbenzamide
SYSTEMATIC NAME: 4-bromanyl-2-fluoranyl-N-methyl-benzamide
MOLECULAR FORMULA: C8H7BrFNO
MOLECULAR WEIGHT: 232.049683
SMILES: CNC(=O)C1=C(C=C(C=C1)Br)F
Structure:
CAS RN: 1015845-52-9
CAS Name: 1-(2-fluorophenyl)-4-pyrazolecarboxaldehyde
OPENEYE Name: 1-(2-fluorophenyl)pyrazole-4-carbaldehyde
IUPAC Name: 1-(2-fluorophenyl)pyrazole-4-carbaldehyde
SYSTEMATIC NAME: 1-(2-fluorophenyl)pyrazole-4-carbaldehyde
MOLECULAR FORMULA: C10H7FN2O
MOLECULAR WEIGHT: 190.173783
SMILES: C1=CC=C(C(=C1)N2C=C(C=N2)C=O)F
Structure:
CAS RN: 950-29-8
CAS Name: 1-amino-1-cyclododecanecarboxylic acid
OPENEYE Name: 1-aminocyclododecanecarboxylic acid
IUPAC Name: 1-aminocyclododecane-1-carboxylic acid
SYSTEMATIC NAME: 1-azanylcyclododecane-1-carboxylic acid
MOLECULAR FORMULA: C13H25NO2
MOLECULAR WEIGHT: 227.3431
SMILES: C1CCCCCC(CCCCC1)(C(=O)O)N
Structure:
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