Wednesday, June 29, 2011

http://ChemLookup.com Compounds




CAS RN: 957193-64-5
CAS Name: 7-iodo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
OPENEYE Name: 7-iodo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
IUPAC Name: 7-iodo-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
SYSTEMATIC NAME: 7-iodanyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
MOLECULAR FORMULA: C7H6IN3O
MOLECULAR WEIGHT: 275.04651
SMILES: C1C(=O)NC2=CC(=CN=C2N1)I

CAS RN: 1048917-94-7
CAS Name: 4-chloro-6-nitro-3H-isobenzofuran-1-one
OPENEYE Name: 4-chloro-6-nitro-3H-isobenzofuran-1-one
IUPAC Name: 4-chloro-6-nitro-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 4-chloranyl-6-nitro-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C8H4ClNO4
MOLECULAR WEIGHT: 213.57466
SMILES: C1C2=C(C=C(C=C2C(=O)O1)[N+](=O)[O-])Cl

CAS RN: 1048917-99-2
CAS Name: 4-bromo-6-nitro-3H-isobenzofuran-1-one
OPENEYE Name: 4-bromo-6-nitro-3H-isobenzofuran-1-one
IUPAC Name: 4-bromo-6-nitro-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 4-bromanyl-6-nitro-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C8H4BrNO4
MOLECULAR WEIGHT: 258.02566
SMILES: C1C2=C(C=C(C=C2C(=O)O1)[N+](=O)[O-])Br

CAS RN: 1048920-34-8
CAS Name: 6-fluoro-7-nitro-3H-isobenzofuran-1-one
OPENEYE Name: 6-fluoro-7-nitro-3H-isobenzofuran-1-one
IUPAC Name: 6-fluoro-7-nitro-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 6-fluoranyl-7-nitro-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C8H4FNO4
MOLECULAR WEIGHT: 197.120063
SMILES: C1C2=C(C(=C(C=C2)F)[N+](=O)[O-])C(=O)O1

CAS RN: 954241-21-5
CAS Name: 5-(1-pyrrolidinyl)-2,3-dihydroinden-1-one
OPENEYE Name: 5-pyrrolidin-1-ylindan-1-one
IUPAC Name: 5-pyrrolidin-1-yl-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 5-pyrrolidin-1-yl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C13H15NO
MOLECULAR WEIGHT: 201.2643
SMILES: C1CCN(C1)C2=CC3=C(C=C2)C(=O)CC3

CAS RN: 511533-38-3
CAS Name: 5-iodo-2,3-dihydroinden-1-one
OPENEYE Name: 5-iodoindan-1-one
IUPAC Name: 5-iodo-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 5-iodanyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C9H7IO
MOLECULAR WEIGHT: 258.05575
SMILES: C1CC(=O)C2=C1C=C(C=C2)I

CAS RN: 917885-01-9
CAS Name: 5-fluoro-6-hydroxy-2,3-dihydroinden-1-one
OPENEYE Name: 5-fluoro-6-hydroxy-indan-1-one
IUPAC Name: 5-fluoro-6-hydroxy-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 5-fluoranyl-6-oxidanyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C9H7FO2
MOLECULAR WEIGHT: 166.149083
SMILES: C1CC(=O)C2=CC(=C(C=C21)F)O

CAS RN: 14548-40-4
CAS Name: 6-iodo-2,3-dihydroinden-1-one
OPENEYE Name: 6-iodoindan-1-one
IUPAC Name: 6-iodo-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 6-iodanyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C9H7IO
MOLECULAR WEIGHT: 258.05575
SMILES: C1CC(=O)C2=C1C=CC(=C2)I

CAS RN: 881189-75-9
CAS Name: 6-chloro-5-fluoro-2,3-dihydroinden-1-one
OPENEYE Name: 6-chloro-5-fluoro-indan-1-one
IUPAC Name: 6-chloro-5-fluoro-2,3-dihydroinden-1-one
SYSTEMATIC NAME: 6-chloranyl-5-fluoranyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C9H6ClFO
MOLECULAR WEIGHT: 184.594743
SMILES: C1CC(=O)C2=CC(=C(C=C21)F)Cl

CAS RN: 15125-93-6
CAS Name: 2-hydroxy-5-iodobenzoic acid hexyl ester
OPENEYE Name: hexyl 2-hydroxy-5-iodo-benzoate
IUPAC Name: hexyl 2-hydroxy-5-iodobenzoate
SYSTEMATIC NAME: hexyl 5-iodanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C13H17IO3
MOLECULAR WEIGHT: 348.17675
SMILES: CCCCCCOC(=O)C1=C(C=CC(=C1)I)O

CAS RN: 100614-10-6
CAS Name: 5-bromo-2-hydroxybenzoic acid hexyl ester
OPENEYE Name: hexyl 5-bromo-2-hydroxy-benzoate
IUPAC Name: hexyl 5-bromo-2-hydroxybenzoate
SYSTEMATIC NAME: hexyl 5-bromanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C13H17BrO3
MOLECULAR WEIGHT: 301.17628
SMILES: CCCCCCOC(=O)C1=C(C=CC(=C1)Br)O

CAS RN: 1131614-38-4
CAS Name: 4-amino-3-iodobenzoic acid pentyl ester
OPENEYE Name: pentyl 4-amino-3-iodo-benzoate
IUPAC Name: pentyl 4-amino-3-iodobenzoate
SYSTEMATIC NAME: pentyl 4-azanyl-3-iodanyl-benzoate
MOLECULAR FORMULA: C12H16INO2
MOLECULAR WEIGHT: 333.16541
SMILES: CCCCCOC(=O)C1=CC(=C(C=C1)N)I

CAS RN: 15125-91-4
CAS Name: 2-hydroxy-5-iodobenzoic acid pentyl ester
OPENEYE Name: pentyl 2-hydroxy-5-iodo-benzoate
IUPAC Name: pentyl 2-hydroxy-5-iodobenzoate
SYSTEMATIC NAME: pentyl 5-iodanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C12H15IO3
MOLECULAR WEIGHT: 334.15017
SMILES: CCCCCOC(=O)C1=C(C=CC(=C1)I)O

CAS RN: 100388-15-6
CAS Name: 5-bromo-2-hydroxybenzoic acid pentyl ester
OPENEYE Name: pentyl 5-bromo-2-hydroxy-benzoate
IUPAC Name: pentyl 5-bromo-2-hydroxybenzoate
SYSTEMATIC NAME: pentyl 5-bromanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C12H15BrO3
MOLECULAR WEIGHT: 287.1497
SMILES: CCCCCOC(=O)C1=C(C=CC(=C1)Br)O

CAS RN: 1131614-75-9
CAS Name: 4-(dimethylamino)-3-iodobenzoic acid butyl ester
OPENEYE Name: butyl 4-(dimethylamino)-3-iodo-benzoate
IUPAC Name: butyl 4-(dimethylamino)-3-iodobenzoate
SYSTEMATIC NAME: butyl 4-(dimethylamino)-3-iodanyl-benzoate
MOLECULAR FORMULA: C13H18INO2
MOLECULAR WEIGHT: 347.19199
SMILES: CCCCOC(=O)C1=CC(=C(C=C1)N(C)C)I

CAS RN: 15125-89-0
CAS Name: 2-hydroxy-5-iodobenzoic acid butyl ester
OPENEYE Name: butyl 2-hydroxy-5-iodo-benzoate
IUPAC Name: butyl 2-hydroxy-5-iodobenzoate
SYSTEMATIC NAME: butyl 5-iodanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C11H13IO3
MOLECULAR WEIGHT: 320.12359
SMILES: CCCCOC(=O)C1=C(C=CC(=C1)I)O

CAS RN: 1131605-38-3
CAS Name: 2-amino-5-iodobenzoic acid butyl ester
OPENEYE Name: butyl 2-amino-5-iodo-benzoate
IUPAC Name: butyl 2-amino-5-iodobenzoate
SYSTEMATIC NAME: butyl 2-azanyl-5-iodanyl-benzoate
MOLECULAR FORMULA: C11H14INO2
MOLECULAR WEIGHT: 319.13883
SMILES: CCCCOC(=O)C1=C(C=CC(=C1)I)N

CAS RN: 100126-05-4
CAS Name: 5-bromo-2-hydroxybenzoic acid butyl ester
OPENEYE Name: butyl 5-bromo-2-hydroxy-benzoate
IUPAC Name: butyl 5-bromo-2-hydroxybenzoate
SYSTEMATIC NAME: butyl 5-bromanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C11H13BrO3
MOLECULAR WEIGHT: 273.12312
SMILES: CCCCOC(=O)C1=C(C=CC(=C1)Br)O

CAS RN: 1131587-67-1
CAS Name: 2-amino-5-bromobenzoic acid butyl ester
OPENEYE Name: butyl 2-amino-5-bromo-benzoate
IUPAC Name: butyl 2-amino-5-bromobenzoate
SYSTEMATIC NAME: butyl 2-azanyl-5-bromanyl-benzoate
MOLECULAR FORMULA: C11H14BrNO2
MOLECULAR WEIGHT: 272.13836
SMILES: CCCCOC(=O)C1=C(C=CC(=C1)Br)N

CAS RN: 1131622-43-9
CAS Name: 2-hydroxy-5-iodobenzoic acid 2-phenylethyl ester
OPENEYE Name: 2-phenylethyl 2-hydroxy-5-iodo-benzoate
IUPAC Name: 2-phenylethyl 2-hydroxy-5-iodobenzoate
SYSTEMATIC NAME: 2-phenylethyl 5-iodanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C15H13IO3
MOLECULAR WEIGHT: 368.16639
SMILES: C1=CC=C(C=C1)CCOC(=O)C2=C(C=CC(=C2)I)O

CAS RN: 1131605-34-9
CAS Name: 2-amino-5-iodobenzoic acid 2-phenylethyl ester
OPENEYE Name: 2-phenylethyl 2-amino-5-iodo-benzoate
IUPAC Name: 2-phenylethyl 2-amino-5-iodobenzoate
SYSTEMATIC NAME: 2-phenylethyl 2-azanyl-5-iodanyl-benzoate
MOLECULAR FORMULA: C15H14INO2
MOLECULAR WEIGHT: 367.18163
SMILES: C1=CC=C(C=C1)CCOC(=O)C2=C(C=CC(=C2)I)N

CAS RN: 1131587-60-4
CAS Name: 5-bromo-2-hydroxybenzoic acid 2-phenylethyl ester
OPENEYE Name: 2-phenylethyl 5-bromo-2-hydroxy-benzoate
IUPAC Name: 2-phenylethyl 5-bromo-2-hydroxybenzoate
SYSTEMATIC NAME: 2-phenylethyl 5-bromanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C15H13BrO3
MOLECULAR WEIGHT: 321.16592
SMILES: C1=CC=C(C=C1)CCOC(=O)C2=C(C=CC(=C2)Br)O

CAS RN: 1131587-62-6
CAS Name: 2-amino-5-bromobenzoic acid 2-phenylethyl ester
OPENEYE Name: 2-phenylethyl 2-amino-5-bromo-benzoate
IUPAC Name: 2-phenylethyl 2-amino-5-bromobenzoate
SYSTEMATIC NAME: 2-phenylethyl 2-azanyl-5-bromanyl-benzoate
MOLECULAR FORMULA: C15H14BrNO2
MOLECULAR WEIGHT: 320.18116
SMILES: C1=CC=C(C=C1)CCOC(=O)C2=C(C=CC(=C2)Br)N

CAS RN: 37640-74-7
CAS Name: 5-bromo-2-hydroxybenzoic acid propyl ester
OPENEYE Name: propyl 5-bromo-2-hydroxy-benzoate
IUPAC Name: propyl 5-bromo-2-hydroxybenzoate
SYSTEMATIC NAME: propyl 5-bromanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C10H11BrO3
MOLECULAR WEIGHT: 259.09654
SMILES: CCCOC(=O)C1=C(C=CC(=C1)Br)O

CAS RN: 15125-92-5
CAS Name: 2-hydroxy-5-iodobenzoic acid 3-methylbutyl ester
OPENEYE Name: isopentyl 2-hydroxy-5-iodo-benzoate
IUPAC Name: 3-methylbutyl 2-hydroxy-5-iodobenzoate
SYSTEMATIC NAME: 3-methylbutyl 5-iodanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C12H15IO3
MOLECULAR WEIGHT: 334.15017
SMILES: CC(C)CCOC(=O)C1=C(C=CC(=C1)I)O

CAS RN: 1131587-61-5
CAS Name: 5-bromo-2-hydroxybenzoic acid 3-methylbutyl ester
OPENEYE Name: isopentyl 5-bromo-2-hydroxy-benzoate
IUPAC Name: 3-methylbutyl 5-bromo-2-hydroxybenzoate
SYSTEMATIC NAME: 3-methylbutyl 5-bromanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C12H15BrO3
MOLECULAR WEIGHT: 287.1497
SMILES: CC(C)CCOC(=O)C1=C(C=CC(=C1)Br)O

CAS RN: 1131605-45-2
CAS Name: 2-amino-5-iodobenzoic acid (phenylmethyl) ester
OPENEYE Name: benzyl 2-amino-5-iodo-benzoate
IUPAC Name: benzyl 2-amino-5-iodobenzoate
SYSTEMATIC NAME: (phenylmethyl) 2-azanyl-5-iodanyl-benzoate
MOLECULAR FORMULA: C14H12INO2
MOLECULAR WEIGHT: 353.15505
SMILES: C1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)I)N

CAS RN: 1131587-72-8
CAS Name: 2-amino-5-bromobenzoic acid (phenylmethyl) ester
OPENEYE Name: benzyl 2-amino-5-bromo-benzoate
IUPAC Name: benzyl 2-amino-5-bromobenzoate
SYSTEMATIC NAME: (phenylmethyl) 2-azanyl-5-bromanyl-benzoate
MOLECULAR FORMULA: C14H12BrNO2
MOLECULAR WEIGHT: 306.15458
SMILES: C1=CC=C(C=C1)COC(=O)C2=C(C=CC(=C2)Br)N

CAS RN: 15125-85-6
CAS Name: 2-hydroxy-5-iodobenzoic acid prop-2-enyl ester
OPENEYE Name: allyl 2-hydroxy-5-iodo-benzoate
IUPAC Name: prop-2-enyl 2-hydroxy-5-iodobenzoate
SYSTEMATIC NAME: prop-2-enyl 5-iodanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C10H9IO3
MOLECULAR WEIGHT: 304.08113
SMILES: C=CCOC(=O)C1=C(C=CC(=C1)I)O

CAS RN: 1131605-37-2
CAS Name: 2-amino-5-iodobenzoic acid prop-2-enyl ester
OPENEYE Name: allyl 2-amino-5-iodo-benzoate
IUPAC Name: prop-2-enyl 2-amino-5-iodobenzoate
SYSTEMATIC NAME: prop-2-enyl 2-azanyl-5-iodanyl-benzoate
MOLECULAR FORMULA: C10H10INO2
MOLECULAR WEIGHT: 303.09637
SMILES: C=CCOC(=O)C1=C(C=CC(=C1)I)N

CAS RN: 1131587-66-0
CAS Name: 2-amino-5-bromobenzoic acid prop-2-enyl ester
OPENEYE Name: allyl 2-amino-5-bromo-benzoate
IUPAC Name: prop-2-enyl 2-amino-5-bromobenzoate
SYSTEMATIC NAME: prop-2-enyl 2-azanyl-5-bromanyl-benzoate
MOLECULAR FORMULA: C10H10BrNO2
MOLECULAR WEIGHT: 256.0959
SMILES: C=CCOC(=O)C1=C(C=CC(=C1)Br)N

CAS RN: 1131587-73-9
CAS Name: 2-amino-5-bromobenzoic acid [(Z)-hex-3-enyl] ester
OPENEYE Name: [(Z)-hex-3-enyl] 2-amino-5-bromo-benzoate
IUPAC Name: [(Z)-hex-3-enyl] 2-amino-5-bromobenzoate
SYSTEMATIC NAME: [(Z)-hex-3-enyl] 2-azanyl-5-bromanyl-benzoate
MOLECULAR FORMULA: C13H16BrNO2
MOLECULAR WEIGHT: 298.17564
SMILES: CC/C=C\CCOC(=O)C1=C(C=CC(=C1)Br)N

CAS RN: 872728-83-1
CAS Name: 2-[4-(5-oxo-2H-1,2,4-oxadiazol-3-yl)anilino]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[4-(5-oxo-2H-1,2,4-oxadiazol-3-yl)anilino]acetate
IUPAC Name: ethyl 2-[4-(5-oxo-2H-1,2,4-oxadiazol-3-yl)anilino]acetate
SYSTEMATIC NAME: ethyl 2-[[4-(5-oxidanylidene-2H-1,2,4-oxadiazol-3-yl)phenyl]amino]ethanoate
MOLECULAR FORMULA: C12H13N3O4
MOLECULAR WEIGHT: 263.24932
SMILES: CCOC(=O)CNC1=CC=C(C=C1)C2=NC(=O)ON2

CAS RN: 1131614-79-3
CAS Name: 4-butoxy-3-iodobenzoic acid ethyl ester
OPENEYE Name: ethyl 4-butoxy-3-iodo-benzoate
IUPAC Name: ethyl 4-butoxy-3-iodobenzoate
SYSTEMATIC NAME: ethyl 4-butoxy-3-iodanyl-benzoate
MOLECULAR FORMULA: C13H17IO3
MOLECULAR WEIGHT: 348.17675
SMILES: CCCCOC1=C(C=C(C=C1)C(=O)OCC)I

CAS RN: 875846-74-5
CAS Name: 3-bromo-4-butoxybenzoic acid ethyl ester
OPENEYE Name: ethyl 3-bromo-4-butoxy-benzoate
IUPAC Name: ethyl 3-bromo-4-butoxybenzoate
SYSTEMATIC NAME: ethyl 3-bromanyl-4-butoxy-benzoate
MOLECULAR FORMULA: C13H17BrO3
MOLECULAR WEIGHT: 301.17628
SMILES: CCCCOC1=C(C=C(C=C1)C(=O)OCC)Br

CAS RN: 1131614-46-4
CAS Name: 3-iodo-4-propoxybenzoic acid ethyl ester
OPENEYE Name: ethyl 3-iodo-4-propoxy-benzoate
IUPAC Name: ethyl 3-iodo-4-propoxybenzoate
SYSTEMATIC NAME: ethyl 3-iodanyl-4-propoxy-benzoate
MOLECULAR FORMULA: C12H15IO3
MOLECULAR WEIGHT: 334.15017
SMILES: CCCOC1=C(C=C(C=C1)C(=O)OCC)I

CAS RN: 1131614-09-9
CAS Name: 4-ethoxy-3-iodobenzoic acid ethyl ester
OPENEYE Name: ethyl 4-ethoxy-3-iodo-benzoate
IUPAC Name: ethyl 4-ethoxy-3-iodobenzoate
SYSTEMATIC NAME: ethyl 4-ethoxy-3-iodanyl-benzoate
MOLECULAR FORMULA: C11H13IO3
MOLECULAR WEIGHT: 320.12359
SMILES: CCOC1=C(C=C(C=C1)C(=O)OCC)I

CAS RN: 1131614-53-3
CAS Name: 4-(difluoromethoxy)-3-iodobenzoic acid ethyl ester
OPENEYE Name: ethyl 4-(difluoromethoxy)-3-iodo-benzoate
IUPAC Name: ethyl 4-(difluoromethoxy)-3-iodobenzoate
SYSTEMATIC NAME: ethyl 4-[bis(fluoranyl)methoxy]-3-iodanyl-benzoate
MOLECULAR FORMULA: C10H9F2IO3
MOLECULAR WEIGHT: 342.077936
SMILES: CCOC(=O)C1=CC(=C(C=C1)OC(F)F)I

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