CAS RN: 57119-09-2
CAS Name: 1-(2,4,6-trimethyl-3-pyridinyl)ethanone
OPENEYE Name: 1-(2,4,6-trimethyl-3-pyridyl)ethanone
IUPAC Name: 1-(2,4,6-trimethylpyridin-3-yl)ethanone
SYSTEMATIC NAME: 1-(2,4,6-trimethylpyridin-3-yl)ethanone
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: CC1=CC(=NC(=C1C(=O)C)C)C
Structure:
CAS RN: 40398-01-4
CAS Name: 1-chloro-2-isocyanato-3-methylbenzene
OPENEYE Name: 1-chloro-2-isocyanato-3-methyl-benzene
IUPAC Name: 1-chloro-2-isocyanato-3-methylbenzene
SYSTEMATIC NAME: 1-chloranyl-2-isocyanato-3-methyl-benzene
MOLECULAR FORMULA: C8H6ClNO
MOLECULAR WEIGHT: 167.59234
SMILES: CC1=C(C(=CC=C1)Cl)N=C=O
Structure:
CAS RN: 82259-42-5
CAS Name: 7,8-dimethyl-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
OPENEYE Name: 7,8-dimethyl-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
IUPAC Name: 7,8-dimethyl-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
SYSTEMATIC NAME: 7,8-dimethyl-4-phenyl-1,3-dihydro-1,5-benzodiazepin-2-one
MOLECULAR FORMULA: C17H16N2O
MOLECULAR WEIGHT: 264.32174
SMILES: CC1=CC2=C(C=C1C)N=C(CC(=O)N2)C3=CC=CC=C3
Structure:
CAS RN: 50587-95-6
CAS Name: 1-(3,4-dichlorophenyl)-3-dodecylurea
OPENEYE Name: 1-(3,4-dichlorophenyl)-3-dodecyl-urea
IUPAC Name: 1-(3,4-dichlorophenyl)-3-dodecylurea
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-3-dodecyl-urea
MOLECULAR FORMULA: C19H30Cl2N2O
MOLECULAR WEIGHT: 373.3603
SMILES: CCCCCCCCCCCCNC(=O)NC1=CC(=C(C=C1)Cl)Cl
Structure:
CAS RN: 130641-26-8
CAS Name: 1-(3,4-dichlorophenyl)-3-heptylurea
OPENEYE Name: 1-(3,4-dichlorophenyl)-3-heptyl-urea
IUPAC Name: 1-(3,4-dichlorophenyl)-3-heptylurea
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-3-heptyl-urea
MOLECULAR FORMULA: C14H20Cl2N2O
MOLECULAR WEIGHT: 303.2274
SMILES: CCCCCCCNC(=O)NC1=CC(=C(C=C1)Cl)Cl
Structure:
CAS RN: 130636-43-0
CAS Name: 1-(3,4-dichlorophenyl)-3-hexylurea
OPENEYE Name: 1-(3,4-dichlorophenyl)-3-hexyl-urea
IUPAC Name: 1-(3,4-dichlorophenyl)-3-hexylurea
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-3-hexyl-urea
MOLECULAR FORMULA: C13H18Cl2N2O
MOLECULAR WEIGHT: 289.20082
SMILES: CCCCCCNC(=O)NC1=CC(=C(C=C1)Cl)Cl
Structure:
CAS RN: 50585-08-5
CAS Name: 1-(3,4-dichlorophenyl)-3-propylurea
OPENEYE Name: 1-(3,4-dichlorophenyl)-3-propyl-urea
IUPAC Name: 1-(3,4-dichlorophenyl)-3-propylurea
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-3-propyl-urea
MOLECULAR FORMULA: C10H12Cl2N2O
MOLECULAR WEIGHT: 247.12108
SMILES: CCCNC(=O)NC1=CC(=C(C=C1)Cl)Cl
Structure:
CAS RN: 14206-60-1
CAS Name: acetic acid [2-acetamido-2-[5-(1,2-diacetyloxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] ester
OPENEYE Name: [2-acetamido-2-[5-(1,2-diacetoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] acetate
IUPAC Name: [2-acetamido-2-[5-(1,2-diacetyloxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] acetate
SYSTEMATIC NAME: [2-acetamido-2-[5-(1,2-diacetyloxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] ethanoate
MOLECULAR FORMULA: C17H27NO9
MOLECULAR WEIGHT: 389.39758
SMILES: CC(=O)NC(COC(=O)C)C1C(OC(O1)(C)C)C(COC(=O)C)OC(=O)C
Structure:
CAS RN: 6342-14-9
CAS Name: acetic acid [3,4,6-triacetyloxy-5-[(4-methylphenyl)sulfonylamino]-2-oxanyl]methyl ester
OPENEYE Name: [3,4,6-triacetoxy-5-(p-tolylsulfonylamino)tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,6-triacetyloxy-5-[(4-methylphenyl)sulfonylamino]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,6-triacetyloxy-5-[(4-methylphenyl)sulfonylamino]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C21H27NO11S
MOLECULAR WEIGHT: 501.50418
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2C(C(C(OC2OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 14086-06-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H16O6S
MOLECULAR WEIGHT: 324.34894
SMILES: COC1C2C(C3C(O1)COC(O3)C4=CC=CC=C4)OC(=S)O2
Structure:
CAS RN: 2134-98-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26N2O3
MOLECULAR WEIGHT: 354.44274
SMILES: CC[C@@H]1CN([C@H]2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34)C
Structure:
CAS RN: 17230-03-4
CAS Name: 4-nitrobenzoic acid (4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl)methyl ester
OPENEYE Name: (4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl)methyl 4-nitrobenzoate
IUPAC Name: (4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl)methyl 4-nitrobenzoate
SYSTEMATIC NAME: (4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl)methyl 4-nitrobenzoate
MOLECULAR FORMULA: C13H13NO7
MOLECULAR WEIGHT: 295.24482
SMILES: COC1C2C(O2)C(O1)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 17230-06-7
CAS Name: 4-nitrobenzoic acid (4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl)methyl ester
OPENEYE Name: (4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl)methyl 4-nitrobenzoate
IUPAC Name: (4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl)methyl 4-nitrobenzoate
SYSTEMATIC NAME: (4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl)methyl 4-nitrobenzoate
MOLECULAR FORMULA: C13H13NO7
MOLECULAR WEIGHT: 295.24482
SMILES: COC1C2C(O2)C(O1)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 64623-01-4
CAS Name: 4-nitrobenzoic acid (4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl)methyl ester
OPENEYE Name: (4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl)methyl 4-nitrobenzoate
IUPAC Name: (4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl)methyl 4-nitrobenzoate
SYSTEMATIC NAME: (4-methoxy-3,6-dioxabicyclo[3.1.0]hexan-2-yl)methyl 4-nitrobenzoate
MOLECULAR FORMULA: C13H13NO7
MOLECULAR WEIGHT: 295.24482
SMILES: COC1C2C(O2)C(O1)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 161563-79-7
CAS Name: 3-(2-phenylethyl)-1H-pyridin-2-one
OPENEYE Name: 3-(2-phenylethyl)-1H-pyridin-2-one
IUPAC Name: 3-(2-phenylethyl)-1H-pyridin-2-one
SYSTEMATIC NAME: 3-(2-phenylethyl)-1H-pyridin-2-one
MOLECULAR FORMULA: C13H13NO
MOLECULAR WEIGHT: 199.24842
SMILES: C1=CC=C(C=C1)CCC2=CC=CNC2=O
Structure:
CAS RN: 13950-55-5
CAS Name: 2-trimethylsilylpropanoic acid ethyl ester
OPENEYE Name: ethyl 2-trimethylsilylpropanoate
IUPAC Name: ethyl 2-trimethylsilylpropanoate
SYSTEMATIC NAME: ethyl 2-trimethylsilylpropanoate
MOLECULAR FORMULA: C8H18O2Si
MOLECULAR WEIGHT: 174.31282
SMILES: CCOC(=O)C(C)[Si](C)(C)C
Structure:
CAS RN: 135330-11-9
CAS Name: 4-hydroxy-3-(4-methylanilino)naphthalene-1,2-dione
OPENEYE Name: 4-hydroxy-3-(4-methylanilino)naphthalene-1,2-dione
IUPAC Name: 4-hydroxy-3-(4-methylanilino)naphthalene-1,2-dione
SYSTEMATIC NAME: 3-[(4-methylphenyl)amino]-4-oxidanyl-naphthalene-1,2-dione
MOLECULAR FORMULA: C17H13NO3
MOLECULAR WEIGHT: 279.29002
SMILES: CC1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C(=O)C2=O)O
Structure:
CAS RN: 96245-97-5
CAS Name: N-(3,4-dichlorophenyl)-2-methoxyacetamide
OPENEYE Name: N-(3,4-dichlorophenyl)-2-methoxy-acetamide
IUPAC Name: N-(3,4-dichlorophenyl)-2-methoxyacetamide
SYSTEMATIC NAME: N-(3,4-dichlorophenyl)-2-methoxy-ethanamide
MOLECULAR FORMULA: C9H9Cl2NO2
MOLECULAR WEIGHT: 234.07926
SMILES: COCC(=O)NC1=CC(=C(C=C1)Cl)Cl
Structure:
CAS RN: 24337-12-0
CAS Name: N,N-diethylcarbamodithioic acid (6-nitro-1-indazolyl)methyl ester
OPENEYE Name: (6-nitroindazol-1-yl)methyl N,N-diethylcarbamodithioate
IUPAC Name: (6-nitroindazol-1-yl)methyl N,N-diethylcarbamodithioate
SYSTEMATIC NAME: (6-nitroindazol-1-yl)methyl N,N-diethylcarbamodithioate
MOLECULAR FORMULA: C13H16N4O2S2
MOLECULAR WEIGHT: 324.42174
SMILES: CCN(CC)C(=S)SCN1C2=C(C=CC(=C2)[N+](=O)[O-])C=N1
Structure:
CAS RN: 18801-77-9
CAS Name: 2-(2-chloroethyl)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(2-chloroethyl)propanedioate
IUPAC Name: diethyl 2-(2-chloroethyl)propanedioate
SYSTEMATIC NAME: diethyl 2-(2-chloroethyl)propanedioate
MOLECULAR FORMULA: C9H15ClO4
MOLECULAR WEIGHT: 222.666
SMILES: CCOC(=O)C(CCCl)C(=O)OCC
Structure:
CAS RN: 18002-79-4
CAS Name: [2,3,5,6-tetrachloro-4-(phosphonomethyl)phenyl]methylphosphonic acid
OPENEYE Name: [2,3,5,6-tetrachloro-4-(phosphonomethyl)phenyl]methylphosphonic acid
IUPAC Name: [2,3,5,6-tetrachloro-4-(phosphonomethyl)phenyl]methylphosphonic acid
SYSTEMATIC NAME: [2,3,5,6-tetrakis(chloranyl)-4-(phosphonomethyl)phenyl]methylphosphonic acid
MOLECULAR FORMULA: C8H8Cl4O6P2
MOLECULAR WEIGHT: 403.905042
SMILES: C(C1=C(C(=C(C(=C1Cl)Cl)CP(=O)(O)O)Cl)Cl)P(=O)(O)O
Structure:
CAS RN: 180037-65-4
CAS Name: 1,2,4,5-tetrachloro-3,6-bis(diethoxyphosphorylmethyl)benzene
OPENEYE Name: 1,2,4,5-tetrachloro-3,6-bis(diethoxyphosphorylmethyl)benzene
IUPAC Name: 1,2,4,5-tetrachloro-3,6-bis(diethoxyphosphorylmethyl)benzene
SYSTEMATIC NAME: 1,2,4,5-tetrakis(chloranyl)-3,6-bis(diethoxyphosphorylmethyl)benzene
MOLECULAR FORMULA: C16H24Cl4O6P2
MOLECULAR WEIGHT: 516.117682
SMILES: CCOP(=O)(CC1=C(C(=C(C(=C1Cl)Cl)CP(=O)(OCC)OCC)Cl)Cl)OCC
Structure:
CAS RN: 27387-79-7
CAS Name: 3,4-dichlorobenzoic acid (6-nitro-1-indazolyl)methyl ester
OPENEYE Name: (6-nitroindazol-1-yl)methyl 3,4-dichlorobenzoate
IUPAC Name: (6-nitroindazol-1-yl)methyl 3,4-dichlorobenzoate
SYSTEMATIC NAME: (6-nitroindazol-1-yl)methyl 3,4-bis(chloranyl)benzoate
MOLECULAR FORMULA: C15H9Cl2N3O4
MOLECULAR WEIGHT: 366.15566
SMILES: C1=CC(=C(C=C1C(=O)OCN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2)Cl)Cl
Structure:
CAS RN: 27380-19-4
CAS Name: 1-(2-chloroethyl)-6-nitroindazole
OPENEYE Name: 1-(2-chloroethyl)-6-nitro-indazole
IUPAC Name: 1-(2-chloroethyl)-6-nitroindazole
SYSTEMATIC NAME: 1-(2-chloroethyl)-6-nitro-indazole
MOLECULAR FORMULA: C9H8ClN3O2
MOLECULAR WEIGHT: 225.63172
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])N(N=C2)CCCl
Structure:
CAS RN: 24336-65-0
CAS Name: N-(3,4-dichlorophenyl)carbamic acid (6-nitro-1-indazolyl)methyl ester
OPENEYE Name: (6-nitroindazol-1-yl)methyl N-(3,4-dichlorophenyl)carbamate
IUPAC Name: (6-nitroindazol-1-yl)methyl N-(3,4-dichlorophenyl)carbamate
SYSTEMATIC NAME: (6-nitroindazol-1-yl)methyl N-(3,4-dichlorophenyl)carbamate
MOLECULAR FORMULA: C15H10Cl2N4O4
MOLECULAR WEIGHT: 381.1703
SMILES: C1=CC(=C(C=C1NC(=O)OCN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2)Cl)Cl
Structure:
CAS RN: 86387-69-1
CAS Name: 1-(3,4-dichlorophenyl)-3-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]urea
OPENEYE Name: 1-(3,4-dichlorophenyl)-3-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]urea
IUPAC Name: 1-(3,4-dichlorophenyl)-3-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]urea
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-3-[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]urea
MOLECULAR FORMULA: C11H14Cl2N2O4
MOLECULAR WEIGHT: 309.14586
SMILES: C1=CC(=C(C=C1NC(=O)NC(CO)(CO)CO)Cl)Cl
Structure:
CAS RN: 24338-09-8
CAS Name: 6-nitro-1-[(prop-2-enylthio)methyl]indazole
OPENEYE Name: 1-(allylsulfanylmethyl)-6-nitro-indazole
IUPAC Name: 6-nitro-1-(prop-2-enylsulfanylmethyl)indazole
SYSTEMATIC NAME: 6-nitro-1-(prop-2-enylsulfanylmethyl)indazole
MOLECULAR FORMULA: C11H11N3O2S
MOLECULAR WEIGHT: 249.28894
SMILES: C=CCSCN1C2=C(C=CC(=C2)[N+](=O)[O-])C=N1
Structure:
CAS RN: 38800-20-3
CAS Name: 4-(methylcarbamoyloxy)benzoic acid 2-hydroxyethyl ester
OPENEYE Name: 2-hydroxyethyl 4-(methylcarbamoyloxy)benzoate
IUPAC Name: 2-hydroxyethyl 4-(methylcarbamoyloxy)benzoate
SYSTEMATIC NAME: 2-hydroxyethyl 4-(methylcarbamoyloxy)benzoate
MOLECULAR FORMULA: C11H13NO5
MOLECULAR WEIGHT: 239.22462
SMILES: CNC(=O)OC1=CC=C(C=C1)C(=O)OCCO
Structure:
CAS RN: 2432-77-1
CAS Name: 3-nitrobenzenesulfonic acid (6-nitro-1-indazolyl)methyl ester
OPENEYE Name: (6-nitroindazol-1-yl)methyl 3-nitrobenzenesulfonate
IUPAC Name: (6-nitroindazol-1-yl)methyl 3-nitrobenzenesulfonate
SYSTEMATIC NAME: (6-nitroindazol-1-yl)methyl 3-nitrobenzenesulfonate
MOLECULAR FORMULA: C14H10N4O7S
MOLECULAR WEIGHT: 378.3168
SMILES: C1=CC(=CC(=C1)S(=O)(=O)OCN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2)[N+](=O)[O-]
Structure:
CAS RN: 24332-19-2
CAS Name: [(6-nitro-1-indazolyl)methylthio]-diphenyl-sulfanylidenephosphorane
OPENEYE Name: (6-nitroindazol-1-yl)methylsulfanyl-diphenyl-thioxo-$l^{5}-phosphane
IUPAC Name: (6-nitroindazol-1-yl)methylsulfanyl-diphenyl-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: (6-nitroindazol-1-yl)methylsulfanyl-diphenyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C20H16N3O2PS2
MOLECULAR WEIGHT: 425.463701
SMILES: C1=CC=C(C=C1)P(=S)(C2=CC=CC=C2)SCN3C4=C(C=CC(=C4)[N+](=O)[O-])C=N3
Structure:
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