CAS RN: 106748-24-7
CAS Name: 3-carbamoylbenzoic acid methyl ester
OPENEYE Name: methyl 3-carbamoylbenzoate
IUPAC Name: methyl 3-carbamoylbenzoate
SYSTEMATIC NAME: methyl 3-aminocarbonylbenzoate
MOLECULAR FORMULA: C9H9NO3
MOLECULAR WEIGHT: 179.17266
SMILES: COC(=O)C1=CC=CC(=C1)C(=O)N
Structure:
CAS RN: 116761-95-6
CAS Name: 1-[2-hydroxy-3-propyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]ethanone
OPENEYE Name: 1-[2-hydroxy-3-propyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]ethanone
IUPAC Name: 1-[2-hydroxy-3-propyl-4-(2H-tetrazol-5-ylmethoxy)phenyl]ethanone
SYSTEMATIC NAME: 1-[2-oxidanyl-3-propyl-4-(2H-1,2,3,4-tetrazol-5-ylmethoxy)phenyl]ethanone
MOLECULAR FORMULA: C13H16N4O3
MOLECULAR WEIGHT: 276.29114
SMILES: CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=NNN=N2
Structure:
CAS RN: 116-74-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H15NO2
MOLECULAR WEIGHT: 313.3493
SMILES: C1=CC=C2C(=C1)C=CC3=NC4=C(C=C32)C5=CC=CC=C5[C@@H]([C@@H]4O)O
Structure:
CAS RN: 116734-21-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H17NO
MOLECULAR WEIGHT: 299.36578
SMILES: C1CC(C2=C(C1)C3=C(C=C2)N=C4C=CC5=CC=CC=C5C4=C3)O
Structure:
CAS RN: 116711-84-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H17NO
MOLECULAR WEIGHT: 299.36578
SMILES: C1CC(C2=C(C1)C=CC3=C2C=C4C(=N3)C=CC5=CC=CC=C54)O
Structure:
CAS RN: 116662-09-0
CAS Name: 2-methyl-2-propenoic acid [(3aR,4S,6aR,7R,8S,9S,9aS,9bS)-9-(chloromethyl)-7,8,9-trihydroxy-3,6-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] ester
OPENEYE Name: [(3aR,4S,6aR,7R,8S,9S,9aS,9bS)-9-(chloromethyl)-7,8,9-trihydroxy-3,6-dimethylene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylprop-2-enoate
IUPAC Name: [(3aR,4S,6aR,7R,8S,9S,9aS,9bS)-9-(chloromethyl)-7,8,9-trihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylprop-2-enoate
SYSTEMATIC NAME: [(3aR,4S,6aR,7R,8S,9S,9aS,9bS)-9-(chloromethyl)-3,6-dimethylidene-7,8,9-tris(oxidanyl)-2-oxidanylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] 2-methylprop-2-enoate
MOLECULAR FORMULA: C19H23ClO7
MOLECULAR WEIGHT: 398.83472
SMILES: CC(=C)C(=O)O[C@H]1CC(=C)[C@H]2[C@@H]([C@@H]3[C@@H]1C(=C)C(=O)O3)[C@]([C@H]([C@@H]2O)O)(CCl)O
Structure:
CAS RN: 116610-61-8
CAS Name: (1S,3R)-3-(2,2-dibromoethenyl)-2,2-dimethyl-1-cyclopropanecarboxylic acid [(R)-cyano-(3-phenoxyphenyl)methyl] ester
OPENEYE Name: [(R)-cyano-(3-phenoxyphenyl)methyl] (1S,3R)-3-(2,2-dibromovinyl)-2,2-dimethyl-cyclopropanecarboxylate
IUPAC Name: [(R)-cyano-(3-phenoxyphenyl)methyl] (1S,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: [(R)-cyano-(3-phenoxyphenyl)methyl] (1S,3R)-3-[2,2-bis(bromanyl)ethenyl]-2,2-dimethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C22H19Br2NO3
MOLECULAR WEIGHT: 505.19916
SMILES: CC1([C@H]([C@@H]1C(=O)O[C@@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C=C(Br)Br)C
Structure:
CAS RN: 106362-34-9
CAS Name: (2S)-N-[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-amino-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-hydroxy-1-o
OPENEYE Name: (2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-3-hydroxy-butanoyl]amino]-N-[(1S)-2-[[(1S,2R)-1-carbamoyl-2-hydroxy-propyl]amino]-1-[(4-hydro
IUPAC Name: (2S)-N-[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amin
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S,3R)-1-azanyl-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-azanylpropanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-oxidanyl-butanoyl]
MOLECULAR FORMULA: C35H56N10O15
MOLECULAR WEIGHT: 856.87714
SMILES: C[C@H]([C@@H](C(=O)N)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@@H](C)N)O
Structure:
CAS RN: 116513-89-4
CAS Name: (3S,4R,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]-2-oxolanone
OPENEYE Name: (3S,4R,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]tetrahydrofuran-2-one
IUPAC Name: (3S,4R,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]oxolan-2-one
SYSTEMATIC NAME: (3S,4R,5R)-3,4-bis(oxidanyl)-5-[(1R)-1-oxidanylethyl]oxolan-2-one
MOLECULAR FORMULA: C6H10O5
MOLECULAR WEIGHT: 162.1406
SMILES: C[C@H]([C@@H]1[C@@H]([C@@H](C(=O)O1)O)O)O
Structure:
CAS RN: 116511-28-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H23N3O2
MOLECULAR WEIGHT: 349.42622
SMILES: CC(=C)C[C@@H]1C2=C(C[C@@H]3N1C(=O)[C@@H]4CCCN4C3=O)C5=CC=CC=C5N2
Structure:
CAS RN: 116508-58-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H23N3O2
MOLECULAR WEIGHT: 349.42622
SMILES: CC(=C[C@@H]1C2=C(C[C@@H]3N1C(=O)[C@@H]4CCCN4C3=O)C5=CC=CC=C5N2)C
Structure:
CAS RN: 116505-60-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H25N3O3
MOLECULAR WEIGHT: 367.4415
SMILES: CC(C)(C[C@@H]1C2=C(C[C@@H]3N1C(=O)[C@@H]4CCCN4C3=O)C5=CC=CC=C5N2)O
Structure:
CAS RN: 1164-92-7
CAS Name: 1,2,3,5-tetrachloro-4-(2,4,5-trichlorophenoxy)benzene
OPENEYE Name: 1,2,3,5-tetrachloro-4-(2,4,5-trichlorophenoxy)benzene
IUPAC Name: 1,2,3,5-tetrachloro-4-(2,4,5-trichlorophenoxy)benzene
SYSTEMATIC NAME: 1,2,3,5-tetrakis(chloranyl)-4-[2,4,5-tris(chloranyl)phenoxy]benzene
MOLECULAR FORMULA: C12H3Cl7O
MOLECULAR WEIGHT: 411.32262
SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)OC2=C(C(=C(C=C2Cl)Cl)Cl)Cl
Structure:
CAS RN: 1164-91-6
CAS Name: 1,2,3-trichloro-4-(2,4,6-trichlorophenoxy)benzene
OPENEYE Name: 1,2,3-trichloro-4-(2,4,6-trichlorophenoxy)benzene
IUPAC Name: 1,2,3-trichloro-4-(2,4,6-trichlorophenoxy)benzene
SYSTEMATIC NAME: 1,2,3-tris(chloranyl)-4-[2,4,6-tris(chloranyl)phenoxy]benzene
MOLECULAR FORMULA: C12H4Cl6O
MOLECULAR WEIGHT: 376.87756
SMILES: C1=CC(=C(C(=C1OC2=C(C=C(C=C2Cl)Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 116436-03-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C38H42N2O7
MOLECULAR WEIGHT: 638.74928
SMILES: CN1CCC2=C3C(=C(C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=CC(=C(C(=C7CCN6C)O)OC)O3)OC)OC)OC
Structure:
CAS RN: 116397-85-4
CAS Name: 1-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-3,5-dimethyl-4-nitropyrazole
OPENEYE Name: 1-(4-chloro-2-fluoro-5-prop-2-ynoxy-phenyl)-3,5-dimethyl-4-nitro-pyrazole
IUPAC Name: 1-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-3,5-dimethyl-4-nitropyrazole
SYSTEMATIC NAME: 1-(4-chloranyl-2-fluoranyl-5-prop-2-ynoxy-phenyl)-3,5-dimethyl-4-nitro-pyrazole
MOLECULAR FORMULA: C14H11ClFN3O3
MOLECULAR WEIGHT: 323.706843
SMILES: CC1=C(C(=NN1C2=CC(=C(C=C2F)Cl)OCC#C)C)[N+](=O)[O-]
Structure:
CAS RN: 116384-53-3
CAS Name: 6-hydroxy-3,5-dimethyl-3H-isobenzofuran-1-one
OPENEYE Name: 6-hydroxy-3,5-dimethyl-3H-isobenzofuran-1-one
IUPAC Name: 6-hydroxy-3,5-dimethyl-3H-2-benzofuran-1-one
SYSTEMATIC NAME: 3,5-dimethyl-6-oxidanyl-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C10H10O3
MOLECULAR WEIGHT: 178.1846
SMILES: CC1C2=CC(=C(C=C2C(=O)O1)O)C
Structure:
CAS RN: 116208-76-5
CAS Name: N-[1-[(2-chloro-5-thiazolyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide
OPENEYE Name: N-[1-[(2-chlorothiazol-5-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide
IUPAC Name: N-[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide
SYSTEMATIC NAME: N-[1-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-4,5-dihydroimidazol-2-yl]nitramide
MOLECULAR FORMULA: C7H8ClN5O2S
MOLECULAR WEIGHT: 261.68872
SMILES: C1CN(C(=N1)N[N+](=O)[O-])CC2=CN=C(S2)Cl
Structure:
CAS RN: 116146-01-1
CAS Name: 1-(5-chloro-1,2-benzothiazol-3-yl)-3-(4-chlorophenyl)urea
OPENEYE Name: 1-(5-chloro-1,2-benzothiazol-3-yl)-3-(4-chlorophenyl)urea
IUPAC Name: 1-(5-chloro-1,2-benzothiazol-3-yl)-3-(4-chlorophenyl)urea
SYSTEMATIC NAME: 1-(5-chloranyl-1,2-benzothiazol-3-yl)-3-(4-chlorophenyl)urea
MOLECULAR FORMULA: C14H9Cl2N3OS
MOLECULAR WEIGHT: 338.21176
SMILES: C1=CC(=CC=C1NC(=O)NC2=NSC3=C2C=C(C=C3)Cl)Cl
Structure:
CAS RN: 116145-99-4
CAS Name: 1-(5-chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea
OPENEYE Name: 1-(5-chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea
IUPAC Name: 1-(5-chloro-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea
SYSTEMATIC NAME: 1-(5-chloranyl-1,2-benzothiazol-3-yl)-3-(3-chlorophenyl)urea
MOLECULAR FORMULA: C14H9Cl2N3OS
MOLECULAR WEIGHT: 338.21176
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)NC2=NSC3=C2C=C(C=C3)Cl
Structure:
CAS RN: 116139-52-7
CAS Name: 2-(methylthio)-4,9-dihydro-[1,3]thiazino[6,5-b]indole
OPENEYE Name: 2-methylsulfanyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole
IUPAC Name: 2-methylsulfanyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole
SYSTEMATIC NAME: 2-methylsulfanyl-4,9-dihydro-[1,3]thiazino[6,5-b]indole
MOLECULAR FORMULA: C11H10N2S2
MOLECULAR WEIGHT: 234.3405
SMILES: CSC1=NCC2=C(S1)NC3=CC=CC=C23
Structure:
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