CAS RN: 59893-89-9
CAS Name: 2-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]acetate
OPENEYE Name: 2-[(3,4-dimethoxybenzoyl)amino]acetate
IUPAC Name: 2-[(3,4-dimethoxybenzoyl)amino]acetate
SYSTEMATIC NAME: 2-[(3,4-dimethoxyphenyl)carbonylamino]ethanoate
MOLECULAR FORMULA: C11H12NO5-
MOLECULAR WEIGHT: 238.21668
SMILES: COC1=C(C=C(C=C1)C(=O)NCC(=O)[O-])OC
Structure:
CAS RN: 13797-62-1
CAS Name: 2-(2-methyl-4-thiazolyl)acetate
OPENEYE Name: 2-(2-methylthiazol-4-yl)acetate
IUPAC Name: 2-(2-methyl-1,3-thiazol-4-yl)acetate
SYSTEMATIC NAME: 2-(2-methyl-1,3-thiazol-4-yl)ethanoate
MOLECULAR FORMULA: C6H6NO2S-
MOLECULAR WEIGHT: 156.18234
SMILES: CC1=NC(=CS1)CC(=O)[O-]
Structure:
CAS RN: 57743-13-2
CAS Name: 2-(2-cyanophenyl)benzoate
OPENEYE Name: 2-(2-cyanophenyl)benzoate
IUPAC Name: 2-(2-cyanophenyl)benzoate
SYSTEMATIC NAME: 2-(2-cyanophenyl)benzoate
MOLECULAR FORMULA: C14H8NO2-
MOLECULAR WEIGHT: 222.21882
SMILES: C1=CC=C(C(=C1)C#N)C2=CC=CC=C2C(=O)[O-]
Structure:
CAS RN: 37777-76-7
CAS Name: 2-(2-chloro-6-fluorophenyl)acetate
OPENEYE Name: 2-(2-chloro-6-fluoro-phenyl)acetate
IUPAC Name: 2-(2-chloro-6-fluorophenyl)acetate
SYSTEMATIC NAME: 2-(2-chloranyl-6-fluoranyl-phenyl)ethanoate
MOLECULAR FORMULA: C8H5ClFO2-
MOLECULAR WEIGHT: 187.575503
SMILES: C1=CC(=C(C(=C1)Cl)CC(=O)[O-])F
Structure:
CAS RN: 14231-45-9
CAS Name: 2-[(1-oxo-2-phenoxyethyl)amino]acetate
OPENEYE Name: 2-[(2-phenoxyacetyl)amino]acetate
IUPAC Name: 2-[(2-phenoxyacetyl)amino]acetate
SYSTEMATIC NAME: 2-(2-phenoxyethanoylamino)ethanoate
MOLECULAR FORMULA: C10H10NO4-
MOLECULAR WEIGHT: 208.1907
SMILES: C1=CC=C(C=C1)OCC(=O)NCC(=O)[O-]
Structure:
CAS RN: 10312-55-7
CAS Name: 2-aminoterephthalate
OPENEYE Name: 2-aminoterephthalate
IUPAC Name: 2-aminoterephthalate
SYSTEMATIC NAME: 2-azanylterephthalate
MOLECULAR FORMULA: C8H5NO4-2
MOLECULAR WEIGHT: 179.1296
SMILES: C1=CC(=C(C=C1C(=O)[O-])N)C(=O)[O-]
Structure:
CAS RN: 58534-64-8
CAS Name: 3,4-diacetyloxybenzoate
OPENEYE Name: 3,4-diacetoxybenzoate
IUPAC Name: 3,4-diacetyloxybenzoate
SYSTEMATIC NAME: 3,4-diacetyloxybenzoate
MOLECULAR FORMULA: C11H9O6-
MOLECULAR WEIGHT: 237.18556
SMILES: CC(=O)OC1=C(C=C(C=C1)C(=O)[O-])OC(=O)C
Structure:
CAS RN: 58543-13-8
CAS Name: 3,4-diacetyloxybenzoate
OPENEYE Name: 3,4-diacetoxybenzoate
IUPAC Name: 3,4-diacetyloxybenzoate
SYSTEMATIC NAME: 3,4-diacetyloxybenzoate
MOLECULAR FORMULA: C11H9O6-
MOLECULAR WEIGHT: 237.18556
SMILES: CC(=O)OC1=C(C=C(C=C1)C(=O)[O-])OC(=O)C
Structure:
CAS RN: 2215-21-6
CAS Name: 2-hydroxy-3,5-di(propan-2-yl)benzoate
OPENEYE Name: 2-hydroxy-3,5-diisopropyl-benzoate
IUPAC Name: 2-hydroxy-3,5-di(propan-2-yl)benzoate
SYSTEMATIC NAME: 2-oxidanyl-3,5-di(propan-2-yl)benzoate
MOLECULAR FORMULA: C13H17O3-
MOLECULAR WEIGHT: 221.27228
SMILES: CC(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)C
Structure:
CAS RN: 61381-04-2
CAS Name: 2-(3,4-diethoxyphenyl)ethylammonium
OPENEYE Name: 2-(3,4-diethoxyphenyl)ethylammonium
IUPAC Name: 2-(3,4-diethoxyphenyl)ethylazanium
SYSTEMATIC NAME: 2-(3,4-diethoxyphenyl)ethylazanium
MOLECULAR FORMULA: C12H20NO2+
MOLECULAR WEIGHT: 210.2927
SMILES: CCOC1=C(C=C(C=C1)CC[NH3+])OCC
Structure:
CAS RN: 435345-15-6
CAS Name: 1-ethylsulfonylpiperazin-4-ium
OPENEYE Name: 1-ethylsulfonylpiperazin-4-ium
IUPAC Name: 1-ethylsulfonylpiperazin-4-ium
SYSTEMATIC NAME: 1-ethylsulfonylpiperazin-4-ium
MOLECULAR FORMULA: C6H15N2O2S+
MOLECULAR WEIGHT: 179.2605
SMILES: CCS(=O)(=O)N1CC[NH2+]CC1
Structure:
CAS RN: 41387-91-1
CAS Name: 4-(1,3-benzothiazol-2-yl)butanoate
OPENEYE Name: 4-(1,3-benzothiazol-2-yl)butanoate
IUPAC Name: 4-(1,3-benzothiazol-2-yl)butanoate
SYSTEMATIC NAME: 4-(1,3-benzothiazol-2-yl)butanoate
MOLECULAR FORMULA: C11H10NO2S-
MOLECULAR WEIGHT: 220.2676
SMILES: C1=CC=C2C(=C1)N=C(S2)CCCC(=O)[O-]
Structure:
CAS RN: 40101-51-7
CAS Name: 3-(1,3-dioxo-2-isoindolyl)benzoate
OPENEYE Name: 3-(1,3-dioxoisoindolin-2-yl)benzoate
IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)benzoate
SYSTEMATIC NAME: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate
MOLECULAR FORMULA: C15H8NO4-
MOLECULAR WEIGHT: 266.22832
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)[O-]
Structure:
CAS RN: 28547-16-2
CAS Name: 4-(benzenesulfonamido)benzoate
OPENEYE Name: 4-(benzenesulfonamido)benzoate
IUPAC Name: 4-(benzenesulfonamido)benzoate
SYSTEMATIC NAME: 4-(phenylsulfonylamino)benzoate
MOLECULAR FORMULA: C13H10NO4S-
MOLECULAR WEIGHT: 276.2878
SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)[O-]
Structure:
CAS RN: 400750-49-4
CAS Name: 5-(1-pyrrolidin-1-iumylmethyl)-2-furancarboxylate
OPENEYE Name: 5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxylate
IUPAC Name: 5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxylate
SYSTEMATIC NAME: 5-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxylate
MOLECULAR FORMULA: C10H13NO3
MOLECULAR WEIGHT: 195.21512
SMILES: C1CC[NH+](C1)CC2=CC=C(O2)C(=O)[O-]
Structure:
CAS RN: 16017-53-1
CAS Name: 1-(4-chlorophenyl)sulfonylpiperazin-4-ium
OPENEYE Name: 1-(4-chlorophenyl)sulfonylpiperazin-4-ium
IUPAC Name: 1-(4-chlorophenyl)sulfonylpiperazin-4-ium
SYSTEMATIC NAME: 1-(4-chlorophenyl)sulfonylpiperazin-4-ium
MOLECULAR FORMULA: C10H14ClN2O2S+
MOLECULAR WEIGHT: 261.74836
SMILES: C1CN(CC[NH2+]1)S(=O)(=O)C2=CC=C(C=C2)Cl
Structure:
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