CAS RN: 74805-99-5
CAS Name: carbonic acid (4-ethoxycarbonyloxyphenyl) ethyl ester
OPENEYE Name: (4-ethoxycarbonyloxyphenyl) ethyl carbonate
IUPAC Name: (4-ethoxycarbonyloxyphenyl) ethyl carbonate
SYSTEMATIC NAME: (4-ethoxycarbonyloxyphenyl) ethyl carbonate
MOLECULAR FORMULA: C12H14O6
MOLECULAR WEIGHT: 254.23596
SMILES: CCOC(=O)OC1=CC=C(C=C1)OC(=O)OCC
Structure:
CAS RN: 16737-44-3
CAS Name: diphenoxymethoxybenzene
OPENEYE Name: diphenoxymethoxybenzene
IUPAC Name: diphenoxymethoxybenzene
SYSTEMATIC NAME: diphenoxymethoxybenzene
MOLECULAR FORMULA: C19H16O3
MOLECULAR WEIGHT: 292.32854
SMILES: C1=CC=C(C=C1)OC(OC2=CC=CC=C2)OC3=CC=CC=C3
Structure:
CAS RN: 30932-68-4
CAS Name: 4-(carbamoylamino)benzoic acid methyl ester
OPENEYE Name: methyl 4-ureidobenzoate
IUPAC Name: methyl 4-(carbamoylamino)benzoate
SYSTEMATIC NAME: methyl 4-(aminocarbonylamino)benzoate
MOLECULAR FORMULA: C9H10N2O3
MOLECULAR WEIGHT: 194.1873
SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)N
Structure:
CAS RN: 5990-20-5
CAS Name: 2-[[oxo-(N-phenylanilino)methyl]amino]acetic acid ethyl ester
OPENEYE Name: ethyl 2-(diphenylcarbamoylamino)acetate
IUPAC Name: ethyl 2-(diphenylcarbamoylamino)acetate
SYSTEMATIC NAME: ethyl 2-(diphenylcarbamoylamino)ethanoate
MOLECULAR FORMULA: C17H18N2O3
MOLECULAR WEIGHT: 298.33642
SMILES: CCOC(=O)CNC(=O)N(C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 53865-58-0
CAS Name: 4-[[anilino(oxo)methyl]amino]benzoic acid methyl ester
OPENEYE Name: methyl 4-(phenylcarbamoylamino)benzoate
IUPAC Name: methyl 4-(phenylcarbamoylamino)benzoate
SYSTEMATIC NAME: methyl 4-(phenylcarbamoylamino)benzoate
MOLECULAR FORMULA: C15H14N2O3
MOLECULAR WEIGHT: 270.28326
SMILES: COC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2
Structure:
CAS RN: 73992-73-1
CAS Name: 2-[[dimethylamino(oxo)methyl]amino]acetic acid ethyl ester
OPENEYE Name: ethyl 2-(dimethylcarbamoylamino)acetate
IUPAC Name: ethyl 2-(dimethylcarbamoylamino)acetate
SYSTEMATIC NAME: ethyl 2-(dimethylcarbamoylamino)ethanoate
MOLECULAR FORMULA: C7H14N2O3
MOLECULAR WEIGHT: 174.19766
SMILES: CCOC(=O)CNC(=O)N(C)C
Structure:
CAS RN: 3741-87-5
CAS Name: N-methyl-N-(1-phenylethylideneamino)aniline
OPENEYE Name: N-methyl-N-(1-phenylethylideneamino)aniline
IUPAC Name: N-methyl-N-(1-phenylethylideneamino)aniline
SYSTEMATIC NAME: N-methyl-N-(1-phenylethylideneamino)aniline
MOLECULAR FORMULA: C15H16N2
MOLECULAR WEIGHT: 224.30094
SMILES: CC(=NN(C)C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 4726-84-5
CAS Name: 2-aminopropanamide
OPENEYE Name: 2-aminopropanamide
IUPAC Name: 2-aminopropanamide
SYSTEMATIC NAME: 2-azanylpropanamide
MOLECULAR FORMULA: C3H8N2O
MOLECULAR WEIGHT: 88.10842
SMILES: CC(C(=O)N)N
Structure:
CAS RN: 40775-79-9
CAS Name: 2-amino-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
OPENEYE Name: 2-amino-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
IUPAC Name: 2-amino-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SYSTEMATIC NAME: 2-azanyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
MOLECULAR FORMULA: C6H7N5O
MOLECULAR WEIGHT: 165.15268
SMILES: CC1=CC(=O)N2C(=N1)N=C(N2)N
Structure:
CAS RN: 38794-23-9
CAS Name: 1-(dimethylaminoazo)anthracene-9,10-dione
OPENEYE Name: 1-(dimethylaminoazo)anthracene-9,10-dione
IUPAC Name: 1-(dimethylaminodiazenyl)anthracene-9,10-dione
SYSTEMATIC NAME: 1-(dimethylaminodiazenyl)anthracene-9,10-dione
MOLECULAR FORMULA: C16H13N3O2
MOLECULAR WEIGHT: 279.29332
SMILES: CN(C)N=NC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 26850-26-0
CAS Name: 2-(4-hydroxyanilino)-2-methylpropanenitrile
OPENEYE Name: 2-(4-hydroxyanilino)-2-methyl-propanenitrile
IUPAC Name: 2-(4-hydroxyanilino)-2-methylpropanenitrile
SYSTEMATIC NAME: 2-[(4-hydroxyphenyl)amino]-2-methyl-propanenitrile
MOLECULAR FORMULA: C10H12N2O
MOLECULAR WEIGHT: 176.21508
SMILES: CC(C)(C#N)NC1=CC=C(C=C1)O
Structure:
CAS RN: 23714-02-5
CAS Name: N-bis(4-chloroanilino)phosphoryl-4-chloroaniline
OPENEYE Name: N-bis(4-chloroanilino)phosphoryl-4-chloro-aniline
IUPAC Name: N-bis(4-chloroanilino)phosphoryl-4-chloroaniline
SYSTEMATIC NAME: N-bis[(4-chlorophenyl)amino]phosphoryl-4-chloranyl-aniline
MOLECULAR FORMULA: C18H15Cl3N3OP
MOLECULAR WEIGHT: 426.663961
SMILES: C1=CC(=CC=C1NP(=O)(NC2=CC=C(C=C2)Cl)NC3=CC=C(C=C3)Cl)Cl
Structure:
CAS RN: 3571-94-6
CAS Name: 4-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
OPENEYE Name: 4-amino-N-(5-isobutyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
IUPAC Name: 4-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
MOLECULAR FORMULA: C12H16N4O2S2
MOLECULAR WEIGHT: 312.41104
SMILES: CC(C)CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N
Structure:
CAS RN: 66392-83-4
CAS Name: 1-chloro-4-[chloromethyl-(4-chlorophenoxy)phosphoryl]oxybenzene
OPENEYE Name: 1-chloro-4-[chloromethyl-(4-chlorophenoxy)phosphoryl]oxy-benzene
IUPAC Name: 1-chloro-4-[chloromethyl-(4-chlorophenoxy)phosphoryl]oxybenzene
SYSTEMATIC NAME: 1-chloranyl-4-[(4-chloranylphenoxy)-(chloromethyl)phosphoryl]oxy-benzene
MOLECULAR FORMULA: C13H10Cl3O3P
MOLECULAR WEIGHT: 351.549461
SMILES: C1=CC(=CC=C1OP(=O)(CCl)OC2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 69812-30-2
CAS Name: 2-acetamido-5-thiazolesulfonyl chloride
OPENEYE Name: 2-acetamidothiazole-5-sulfonyl chloride
IUPAC Name: 2-acetamido-1,3-thiazole-5-sulfonyl chloride
SYSTEMATIC NAME: 2-acetamido-1,3-thiazole-5-sulfonyl chloride
MOLECULAR FORMULA: C5H5ClN2O3S2
MOLECULAR WEIGHT: 240.6878
SMILES: CC(=O)NC1=NC=C(S1)S(=O)(=O)Cl
Structure:
CAS RN: 7336-54-1
CAS Name: N-(5-bromo-2-thiazolyl)acetamide
OPENEYE Name: N-(5-bromothiazol-2-yl)acetamide
IUPAC Name: N-(5-bromo-1,3-thiazol-2-yl)acetamide
SYSTEMATIC NAME: N-(5-bromanyl-1,3-thiazol-2-yl)ethanamide
MOLECULAR FORMULA: C5H5BrN2OS
MOLECULAR WEIGHT: 221.075
SMILES: CC(=O)NC1=NC=C(S1)Br
Structure:
CAS RN: 3034-49-9
CAS Name: 5-nitro-3H-thiazol-2-one
OPENEYE Name: 5-nitro-3H-thiazol-2-one
IUPAC Name: 5-nitro-3H-1,3-thiazol-2-one
SYSTEMATIC NAME: 5-nitro-3H-1,3-thiazol-2-one
MOLECULAR FORMULA: C3H2N2O3S
MOLECULAR WEIGHT: 146.12458
SMILES: C1=C(SC(=O)N1)[N+](=O)[O-]
Structure:
CAS RN: 18365-75-8
CAS Name: 1-[3-(dodecylthio)propylthio]dodecane
OPENEYE Name: 1-(3-dodecylsulfanylpropylsulfanyl)dodecane
IUPAC Name: 1-(3-dodecylsulfanylpropylsulfanyl)dodecane
SYSTEMATIC NAME: 1-(3-dodecylsulfanylpropylsulfanyl)dodecane
MOLECULAR FORMULA: C27H56S2
MOLECULAR WEIGHT: 444.86354
SMILES: CCCCCCCCCCCCSCCCSCCCCCCCCCCCC
Structure:
CAS RN: 82-73-5
CAS Name: 4-bromoisobenzofuran-1,3-dione
OPENEYE Name: 4-bromoisobenzofuran-1,3-dione
IUPAC Name: 4-bromo-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 4-bromanyl-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C8H3BrO3
MOLECULAR WEIGHT: 227.01162
SMILES: C1=CC2=C(C(=C1)Br)C(=O)OC2=O
Structure:
CAS RN: 34554-51-3
CAS Name: 2,5-dibromo-3,6-diphenoxycyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-dibromo-3,6-diphenoxy-1,4-benzoquinone
IUPAC Name: 2,5-dibromo-3,6-diphenoxycyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis(bromanyl)-3,6-diphenoxy-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C18H10Br2O4
MOLECULAR WEIGHT: 450.0776
SMILES: C1=CC=C(C=C1)OC2=C(C(=O)C(=C(C2=O)Br)OC3=CC=CC=C3)Br
Structure:
CAS RN: 2969-33-7
CAS Name: 2-hydroxy-N-[4-[4-[[(2-hydroxyphenyl)-oxomethyl]amino]phenyl]phenyl]benzamide
OPENEYE Name: 2-hydroxy-N-[4-[4-[(2-hydroxybenzoyl)amino]phenyl]phenyl]benzamide
IUPAC Name: 2-hydroxy-N-[4-[4-[(2-hydroxybenzoyl)amino]phenyl]phenyl]benzamide
SYSTEMATIC NAME: N-[4-[4-[(2-hydroxyphenyl)carbonylamino]phenyl]phenyl]-2-oxidanyl-benzamide
MOLECULAR FORMULA: C26H20N2O4
MOLECULAR WEIGHT: 424.448
SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4O)O
Structure:
CAS RN: 14070-37-2
CAS Name: 2,3,7-trinitro-9-fluorenone
OPENEYE Name: 2,3,7-trinitrofluoren-9-one
IUPAC Name: 2,3,7-trinitrofluoren-9-one
SYSTEMATIC NAME: 2,3,7-trinitrofluoren-9-one
MOLECULAR FORMULA: C13H5N3O7
MOLECULAR WEIGHT: 315.1947
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC(=C(C=C23)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 34320-14-4
CAS Name: N-[4-(4-aminophenyl)phenyl]benzamide
OPENEYE Name: N-[4-(4-aminophenyl)phenyl]benzamide
IUPAC Name: N-[4-(4-aminophenyl)phenyl]benzamide
SYSTEMATIC NAME: N-[4-(4-aminophenyl)phenyl]benzamide
MOLECULAR FORMULA: C19H16N2O
MOLECULAR WEIGHT: 288.34314
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C3=CC=C(C=C3)N
Structure:
CAS RN: 533-70-0
CAS Name: 2,4-diiodoaniline
OPENEYE Name: 2,4-diiodoaniline
IUPAC Name: 2,4-diiodoaniline
SYSTEMATIC NAME: 2,4-bis(iodanyl)aniline
MOLECULAR FORMULA: C6H5I2N
MOLECULAR WEIGHT: 344.91954
SMILES: C1=CC(=C(C=C1I)I)N
Structure:
CAS RN: 1487-12-3
CAS Name: 1,2,3,4-tetraphenylbenzene
OPENEYE Name: 1,2,3,4-tetraphenylbenzene
IUPAC Name: 1,2,3,4-tetraphenylbenzene
SYSTEMATIC NAME: 1,2,3,4-tetraphenylbenzene
MOLECULAR FORMULA: C30H22
MOLECULAR WEIGHT: 382.49568
SMILES: C1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 2411-58-7
CAS Name: 1-isocyanatoundecane
OPENEYE Name: 1-isocyanatoundecane
IUPAC Name: 1-isocyanatoundecane
SYSTEMATIC NAME: 1-isocyanatoundecane
MOLECULAR FORMULA: C12H23NO
MOLECULAR WEIGHT: 197.31712
SMILES: CCCCCCCCCCCN=C=O
Structure:
CAS RN: 80460-05-5
CAS Name: 4-nitro-1,3-diphenyl-1-hexanone
OPENEYE Name: 4-nitro-1,3-diphenyl-hexan-1-one
IUPAC Name: 4-nitro-1,3-diphenylhexan-1-one
SYSTEMATIC NAME: 4-nitro-1,3-diphenyl-hexan-1-one
MOLECULAR FORMULA: C18H19NO3
MOLECULAR WEIGHT: 297.34836
SMILES: CCC(C(CC(=O)C1=CC=CC=C1)C2=CC=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 15394-91-9
CAS Name: 2-(4-nitrophenyl)cyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-(4-nitrophenyl)-1,4-benzoquinone
IUPAC Name: 2-(4-nitrophenyl)cyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-(4-nitrophenyl)cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C12H7NO4
MOLECULAR WEIGHT: 229.18828
SMILES: C1=CC(=CC=C1C2=CC(=O)C=CC2=O)[N+](=O)[O-]
Structure:
CAS RN: 31268-50-5
CAS Name: 2-(dodecylamino)benzoic acid
OPENEYE Name: 2-(dodecylamino)benzoic acid
IUPAC Name: 2-(dodecylamino)benzoic acid
SYSTEMATIC NAME: 2-(dodecylamino)benzoic acid
MOLECULAR FORMULA: C19H31NO2
MOLECULAR WEIGHT: 305.45494
SMILES: CCCCCCCCCCCCNC1=CC=CC=C1C(=O)O
Structure:
CAS RN: 36419-34-8
CAS Name: (3,4-dichlorophenyl)-(2,4-dihydroxyphenyl)methanone
OPENEYE Name: (3,4-dichlorophenyl)-(2,4-dihydroxyphenyl)methanone
IUPAC Name: (3,4-dichlorophenyl)-(2,4-dihydroxyphenyl)methanone
SYSTEMATIC NAME: [2,4-bis(oxidanyl)phenyl]-(3,4-dichlorophenyl)methanone
MOLECULAR FORMULA: C13H8Cl2O3
MOLECULAR WEIGHT: 283.10682
SMILES: C1=CC(=C(C=C1C(=O)C2=C(C=C(C=C2)O)O)Cl)Cl
Structure:
CAS RN: 4162-62-3
CAS Name: 2-chloro-3-(2-chloroprop-2-enoxy)-1-propene
OPENEYE Name: 2-chloro-3-(2-chloroallyloxy)prop-1-ene
IUPAC Name: 2-chloro-3-(2-chloroprop-2-enoxy)prop-1-ene
SYSTEMATIC NAME: 2-chloranyl-3-(2-chloranylprop-2-enoxy)prop-1-ene
MOLECULAR FORMULA: C6H8Cl2O
MOLECULAR WEIGHT: 167.03312
SMILES: C=C(COCC(=C)Cl)Cl
Structure:
CAS RN: 20712-16-7
CAS Name: 5-chloro-3-methyl-2-pyridinamine
OPENEYE Name: 5-chloro-3-methyl-pyridin-2-amine
IUPAC Name: 5-chloro-3-methylpyridin-2-amine
SYSTEMATIC NAME: 5-chloranyl-3-methyl-pyridin-2-amine
MOLECULAR FORMULA: C6H7ClN2
MOLECULAR WEIGHT: 142.58618
SMILES: CC1=CC(=CN=C1N)Cl
Structure:
CAS RN: 73031-64-8
CAS Name: 4-(5-amino-3,4-dihydropyrazol-2-yl)benzoic acid
OPENEYE Name: 4-(5-amino-3,4-dihydropyrazol-2-yl)benzoic acid
IUPAC Name: 4-(5-amino-3,4-dihydropyrazol-2-yl)benzoic acid
SYSTEMATIC NAME: 4-(5-azanyl-3,4-dihydropyrazol-2-yl)benzoic acid
MOLECULAR FORMULA: C10H11N3O2
MOLECULAR WEIGHT: 205.21324
SMILES: C1CN(N=C1N)C2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 26356-44-5
CAS Name: 5-(9-fluorenylidenemethyl)-1,3-benzodioxole
OPENEYE Name: 5-(fluoren-9-ylidenemethyl)-1,3-benzodioxole
IUPAC Name: 5-(fluoren-9-ylidenemethyl)-1,3-benzodioxole
SYSTEMATIC NAME: 5-(fluoren-9-ylidenemethyl)-1,3-benzodioxole
MOLECULAR FORMULA: C21H14O2
MOLECULAR WEIGHT: 298.33466
SMILES: C1OC2=C(O1)C=C(C=C2)C=C3C4=CC=CC=C4C5=CC=CC=C53
Structure:
CAS RN: 5298-27-1
CAS Name: (2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone
OPENEYE Name: (2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone
IUPAC Name: (2,4-dihydroxyphenyl)-(4-methoxyphenyl)methanone
SYSTEMATIC NAME: [2,4-bis(oxidanyl)phenyl]-(4-methoxyphenyl)methanone
MOLECULAR FORMULA: C14H12O4
MOLECULAR WEIGHT: 244.24268
SMILES: COC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)O)O
Structure:
CAS RN: 13167-88-9
CAS Name: 2-[(4-hydroxyphenyl)-oxomethyl]indene-1,3-dione
OPENEYE Name: 2-(4-hydroxybenzoyl)indane-1,3-dione
IUPAC Name: 2-(4-hydroxybenzoyl)indene-1,3-dione
SYSTEMATIC NAME: 2-(4-hydroxyphenyl)carbonylindene-1,3-dione
MOLECULAR FORMULA: C16H10O4
MOLECULAR WEIGHT: 266.2482
SMILES: C1=CC=C2C(=C1)C(=O)C(C2=O)C(=O)C3=CC=C(C=C3)O
Structure:
CAS RN: 23079-95-0
CAS Name: 1-[anilino(oxo)methyl]-3,3-dimethyl-1-phenylurea
OPENEYE Name: 1,1-dimethyl-3-phenyl-3-(phenylcarbamoyl)urea
IUPAC Name: 1,1-dimethyl-3-phenyl-3-(phenylcarbamoyl)urea
SYSTEMATIC NAME: 1,1-dimethyl-3-phenyl-3-(phenylcarbamoyl)urea
MOLECULAR FORMULA: C16H17N3O2
MOLECULAR WEIGHT: 283.32508
SMILES: CN(C)C(=O)N(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2
Structure:
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