CAS RN: 59163-43-8
CAS Name: butanoic acid [(5-nitro-2-furanyl)-(1-oxobutoxy)methyl] ester
OPENEYE Name: [butanoyloxy-(5-nitro-2-furyl)methyl] butanoate
IUPAC Name: [butanoyloxy-(5-nitrofuran-2-yl)methyl] butanoate
SYSTEMATIC NAME: [butanoyloxy-(5-nitrofuran-2-yl)methyl] butanoate
MOLECULAR FORMULA: C13H17NO7
MOLECULAR WEIGHT: 299.27658
SMILES: CCCC(=O)OC(C1=CC=C(O1)[N+](=O)[O-])OC(=O)CCC
Structure:
CAS RN: 52010-00-1
CAS Name: N-(3-chlorophenyl)carbamic acid 2-chloroprop-2-enyl ester
OPENEYE Name: 2-chloroallyl N-(3-chlorophenyl)carbamate
IUPAC Name: 2-chloroprop-2-enyl N-(3-chlorophenyl)carbamate
SYSTEMATIC NAME: 2-chloranylprop-2-enyl N-(3-chlorophenyl)carbamate
MOLECULAR FORMULA: C10H9Cl2NO2
MOLECULAR WEIGHT: 246.08996
SMILES: C=C(COC(=O)NC1=CC(=CC=C1)Cl)Cl
Structure:
CAS RN: 93867-00-6
CAS Name: N-(3-chlorophenyl)carbamic acid (1-ethynylcyclohexyl) ester
OPENEYE Name: (1-ethynylcyclohexyl) N-(3-chlorophenyl)carbamate
IUPAC Name: (1-ethynylcyclohexyl) N-(3-chlorophenyl)carbamate
SYSTEMATIC NAME: (1-ethynylcyclohexyl) N-(3-chlorophenyl)carbamate
MOLECULAR FORMULA: C15H16ClNO2
MOLECULAR WEIGHT: 277.74604
SMILES: C#CC1(CCCCC1)OC(=O)NC2=CC(=CC=C2)Cl
Structure:
CAS RN: 3004-45-3
CAS Name: N-(3-chlorophenyl)carbamic acid prop-2-ynyl ester
OPENEYE Name: prop-2-ynyl N-(3-chlorophenyl)carbamate
IUPAC Name: prop-2-ynyl N-(3-chlorophenyl)carbamate
SYSTEMATIC NAME: prop-2-ynyl N-(3-chlorophenyl)carbamate
MOLECULAR FORMULA: C10H8ClNO2
MOLECULAR WEIGHT: 209.62902
SMILES: C#CCOC(=O)NC1=CC(=CC=C1)Cl
Structure:
CAS RN: 17002-07-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C18H16N2O4
MOLECULAR WEIGHT: 324.33064
SMILES: COC(=O)N1C2C3=CC=CC=C3C(N1C(=O)OC)C4=CC=CC=C24
Structure:
CAS RN: 3357-45-7
CAS Name: N-phenylcarbamic acid 2-oxanylmethyl ester
OPENEYE Name: tetrahydropyran-2-ylmethyl N-phenylcarbamate
IUPAC Name: oxan-2-ylmethyl N-phenylcarbamate
SYSTEMATIC NAME: oxan-2-ylmethyl N-phenylcarbamate
MOLECULAR FORMULA: C13H17NO3
MOLECULAR WEIGHT: 235.27898
SMILES: C1CCOC(C1)COC(=O)NC2=CC=CC=C2
Structure:
CAS RN: 80828-07-5
CAS Name: 1-(benzenesulfonamido)-3-phenylurea
OPENEYE Name: 1-(benzenesulfonamido)-3-phenyl-urea
IUPAC Name: 1-(benzenesulfonamido)-3-phenylurea
SYSTEMATIC NAME: 1-phenyl-3-(phenylsulfonylamino)urea
MOLECULAR FORMULA: C13H13N3O3S
MOLECULAR WEIGHT: 291.32562
SMILES: C1=CC=C(C=C1)NC(=O)NNS(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 63007-59-0
CAS Name: N-[2-(2-acetamido-5-bromophenyl)-4-bromophenyl]acetamide
OPENEYE Name: N-[2-(2-acetamido-5-bromo-phenyl)-4-bromo-phenyl]acetamide
IUPAC Name: N-[2-(2-acetamido-5-bromophenyl)-4-bromophenyl]acetamide
SYSTEMATIC NAME: N-[2-(2-acetamido-5-bromanyl-phenyl)-4-bromanyl-phenyl]ethanamide
MOLECULAR FORMULA: C16H14Br2N2O2
MOLECULAR WEIGHT: 426.10256
SMILES: CC(=O)NC1=C(C=C(C=C1)Br)C2=C(C=CC(=C2)Br)NC(=O)C
Structure:
CAS RN: 91331-19-0
CAS Name: 2-(2-amino-3,5-dibromophenyl)-4,6-dibromoaniline
OPENEYE Name: 2-(2-amino-3,5-dibromo-phenyl)-4,6-dibromo-aniline
IUPAC Name: 2-(2-amino-3,5-dibromophenyl)-4,6-dibromoaniline
SYSTEMATIC NAME: 2-[2-azanyl-3,5-bis(bromanyl)phenyl]-4,6-bis(bromanyl)aniline
MOLECULAR FORMULA: C12H8Br4N2
MOLECULAR WEIGHT: 499.82132
SMILES: C1=C(C=C(C(=C1Br)N)C2=CC(=CC(=C2N)Br)Br)Br
Structure:
CAS RN: 65414-80-4
CAS Name: 2-[(1-oxo-2-phenylethyl)amino]hexanoic acid
OPENEYE Name: 2-[(2-phenylacetyl)amino]hexanoic acid
IUPAC Name: 2-[(2-phenylacetyl)amino]hexanoic acid
SYSTEMATIC NAME: 2-(2-phenylethanoylamino)hexanoic acid
MOLECULAR FORMULA: C14H19NO3
MOLECULAR WEIGHT: 249.30556
SMILES: CCCCC(C(=O)O)NC(=O)CC1=CC=CC=C1
Structure:
CAS RN: 90801-45-9
CAS Name: 2-cyanobutanedihydrazide
OPENEYE Name: 2-cyanobutanedihydrazide
IUPAC Name: 2-cyanobutanedihydrazide
SYSTEMATIC NAME: 2-cyanobutanedihydrazide
MOLECULAR FORMULA: C5H9N5O2
MOLECULAR WEIGHT: 171.15726
SMILES: C(C(C#N)C(=O)NN)C(=O)NN
Structure:
CAS RN: 3368-15-8
CAS Name: 3-(2-methoxyphenyl)-2-methyl-2-propenoic acid
OPENEYE Name: 3-(2-methoxyphenyl)-2-methyl-prop-2-enoic acid
IUPAC Name: 3-(2-methoxyphenyl)-2-methylprop-2-enoic acid
SYSTEMATIC NAME: 3-(2-methoxyphenyl)-2-methyl-prop-2-enoic acid
MOLECULAR FORMULA: C11H12O3
MOLECULAR WEIGHT: 192.21118
SMILES: CC(=CC1=CC=CC=C1OC)C(=O)O
Structure:
CAS RN: 13672-43-0
CAS Name: 4-(1-naphthalenyl)-4-oxobutanoic acid methyl ester
OPENEYE Name: methyl 4-(1-naphthyl)-4-oxo-butanoate
IUPAC Name: methyl 4-naphthalen-1-yl-4-oxobutanoate
SYSTEMATIC NAME: methyl 4-naphthalen-1-yl-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C15H14O3
MOLECULAR WEIGHT: 242.26986
SMILES: COC(=O)CCC(=O)C1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 91902-58-8
CAS Name: 4-ethyl-1-naphthalenecarboxylic acid
OPENEYE Name: 4-ethylnaphthalene-1-carboxylic acid
IUPAC Name: 4-ethylnaphthalene-1-carboxylic acid
SYSTEMATIC NAME: 4-ethylnaphthalene-1-carboxylic acid
MOLECULAR FORMULA: C13H12O2
MOLECULAR WEIGHT: 200.23318
SMILES: CCC1=CC=C(C2=CC=CC=C12)C(=O)O
Structure:
CAS RN: 4354-67-0
CAS Name: 2-cyclohexylpropanedioic acid
OPENEYE Name: 2-cyclohexylpropanedioic acid
IUPAC Name: 2-cyclohexylpropanedioic acid
SYSTEMATIC NAME: 2-cyclohexylpropanedioic acid
MOLECULAR FORMULA: C9H14O4
MOLECULAR WEIGHT: 186.20506
SMILES: C1CCC(CC1)C(C(=O)O)C(=O)O
Structure:
CAS RN: 10606-38-9
CAS Name: [bis(phenylmethylthio)methylthio]methylbenzene
OPENEYE Name: bis(benzylsulfanyl)methylsulfanylmethylbenzene
IUPAC Name: bis(benzylsulfanyl)methylsulfanylmethylbenzene
SYSTEMATIC NAME: bis(phenylmethylsulfanyl)methylsulfanylmethylbenzene
MOLECULAR FORMULA: C22H22S3
MOLECULAR WEIGHT: 382.60508
SMILES: C1=CC=C(C=C1)CSC(SCC2=CC=CC=C2)SCC3=CC=CC=C3
Structure:
CAS RN: 25022-99-5
CAS Name: 9-chloro-9-phenylfluorene
OPENEYE Name: 9-chloro-9-phenyl-fluorene
IUPAC Name: 9-chloro-9-phenylfluorene
SYSTEMATIC NAME: 9-chloranyl-9-phenyl-fluorene
MOLECULAR FORMULA: C19H13Cl
MOLECULAR WEIGHT: 276.75952
SMILES: C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)Cl
Structure:
CAS RN: 94546-99-3
CAS Name: 2-[N-methyl-4-[2-(4-quinolinyl)ethenyl]anilino]acetic acid
OPENEYE Name: 2-[N-methyl-4-[2-(4-quinolyl)vinyl]anilino]acetic acid
IUPAC Name: 2-[N-methyl-4-(2-quinolin-4-ylethenyl)anilino]acetic acid
SYSTEMATIC NAME: 2-[methyl-[4-(2-quinolin-4-ylethenyl)phenyl]amino]ethanoic acid
MOLECULAR FORMULA: C20H18N2O2
MOLECULAR WEIGHT: 318.36912
SMILES: CN(CC(=O)O)C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23
Structure:
CAS RN: 796-57-6
CAS Name: N1,N1-dimethyl-4-[2-(4-quinolinyl)ethenyl]benzene-1,2-diamine
OPENEYE Name: N1,N1-dimethyl-4-[2-(4-quinolyl)vinyl]benzene-1,2-diamine
IUPAC Name: 1-N,1-N-dimethyl-4-(2-quinolin-4-ylethenyl)benzene-1,2-diamine
SYSTEMATIC NAME: N1,N1-dimethyl-4-(2-quinolin-4-ylethenyl)benzene-1,2-diamine
MOLECULAR FORMULA: C19H19N3
MOLECULAR WEIGHT: 289.37426
SMILES: CN(C)C1=C(C=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)N
Structure:
CAS RN: 14009-94-0
CAS Name: 2-acetamido-3-phenylpropanoic acid (4-nitrophenyl) ester
OPENEYE Name: (4-nitrophenyl) 2-acetamido-3-phenyl-propanoate
IUPAC Name: (4-nitrophenyl) 2-acetamido-3-phenylpropanoate
SYSTEMATIC NAME: (4-nitrophenyl) 2-acetamido-3-phenyl-propanoate
MOLECULAR FORMULA: C17H16N2O5
MOLECULAR WEIGHT: 328.31934
SMILES: CC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 18934-57-1
CAS Name: N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)acetamide
OPENEYE Name: N-(1-benzyl-2-hydrazino-2-oxo-ethyl)acetamide
IUPAC Name: N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)acetamide
SYSTEMATIC NAME: N-(1-diazanyl-1-oxidanylidene-3-phenyl-propan-2-yl)ethanamide
MOLECULAR FORMULA: C11H15N3O2
MOLECULAR WEIGHT: 221.2557
SMILES: CC(=O)NC(CC1=CC=CC=C1)C(=O)NN
Structure:
CAS RN: 19876-64-3
CAS Name: 4-(4-methylphenyl)-1-pentanol
OPENEYE Name: 4-(p-tolyl)pentan-1-ol
IUPAC Name: 4-(4-methylphenyl)pentan-1-ol
SYSTEMATIC NAME: 4-(4-methylphenyl)pentan-1-ol
MOLECULAR FORMULA: C12H18O
MOLECULAR WEIGHT: 178.27072
SMILES: CC1=CC=C(C=C1)C(C)CCCO
Structure:
CAS RN: 33596-72-4
CAS Name: 4-(4-methylphenyl)-1-pentanol
OPENEYE Name: 4-(p-tolyl)pentan-1-ol
IUPAC Name: 4-(4-methylphenyl)pentan-1-ol
SYSTEMATIC NAME: 4-(4-methylphenyl)pentan-1-ol
MOLECULAR FORMULA: C12H18O
MOLECULAR WEIGHT: 178.27072
SMILES: CC1=CC=C(C=C1)C(C)CCCO
Structure:
CAS RN: 25012-55-9
CAS Name: 1-methyl-2-methyleneaziridine
OPENEYE Name: 1-methyl-2-methylene-aziridine
IUPAC Name: 1-methyl-2-methylideneaziridine
SYSTEMATIC NAME: 1-methyl-2-methylidene-aziridine
MOLECULAR FORMULA: C4H7N
MOLECULAR WEIGHT: 69.10508
SMILES: CN1CC1=C
Structure:
CAS RN: 89533-46-0
CAS Name: (2,4-dioxo-1H-pyrimidin-5-yl)methylurea
OPENEYE Name: (2,4-dioxo-1H-pyrimidin-5-yl)methylurea
IUPAC Name: (2,4-dioxo-1H-pyrimidin-5-yl)methylurea
SYSTEMATIC NAME: 1-[[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]methyl]urea
MOLECULAR FORMULA: C6H8N4O3
MOLECULAR WEIGHT: 184.15272
SMILES: C1=C(C(=O)NC(=O)N1)CNC(=O)N
Structure:
CAS RN: 40769-79-7
CAS Name: N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
OPENEYE Name: N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
IUPAC Name: N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
SYSTEMATIC NAME: N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]ethanamide
MOLECULAR FORMULA: C6H7N3O3
MOLECULAR WEIGHT: 169.13808
SMILES: CC(=O)NC1=CNC(=O)NC1=O
Structure:
CAS RN: 75500-02-6
CAS Name: 5-fluoro-1,3-bis(phenylmethyl)pyrimidine-2,4-dione
OPENEYE Name: 1,3-dibenzyl-5-fluoro-pyrimidine-2,4-dione
IUPAC Name: 1,3-dibenzyl-5-fluoropyrimidine-2,4-dione
SYSTEMATIC NAME: 5-fluoranyl-1,3-bis(phenylmethyl)pyrimidine-2,4-dione
MOLECULAR FORMULA: C18H15FN2O2
MOLECULAR WEIGHT: 310.322303
SMILES: C1=CC=C(C=C1)CN2C=C(C(=O)N(C2=O)CC3=CC=CC=C3)F
Structure:
CAS RN: 80115-67-9
CAS Name: 1,3-diethyl-5-fluoropyrimidine-2,4-dione
OPENEYE Name: 1,3-diethyl-5-fluoro-pyrimidine-2,4-dione
IUPAC Name: 1,3-diethyl-5-fluoropyrimidine-2,4-dione
SYSTEMATIC NAME: 1,3-diethyl-5-fluoranyl-pyrimidine-2,4-dione
MOLECULAR FORMULA: C8H11FN2O2
MOLECULAR WEIGHT: 186.183543
SMILES: CCN1C=C(C(=O)N(C1=O)CC)F
Structure:
CAS RN: 62950-20-3
CAS Name: cyclohexane-1,2-dicarboxylic acid dibutyl ester
OPENEYE Name: dibutyl cyclohexane-1,2-dicarboxylate
IUPAC Name: dibutyl cyclohexane-1,2-dicarboxylate
SYSTEMATIC NAME: dibutyl cyclohexane-1,2-dicarboxylate
MOLECULAR FORMULA: C16H28O4
MOLECULAR WEIGHT: 284.39112
SMILES: CCCCOC(=O)C1CCCCC1C(=O)OCCCC
Structure:
CAS RN: 65646-25-5
CAS Name: cyclohexane-1,2-dicarboxylic acid dipropyl ester
OPENEYE Name: dipropyl cyclohexane-1,2-dicarboxylate
IUPAC Name: dipropyl cyclohexane-1,2-dicarboxylate
SYSTEMATIC NAME: dipropyl cyclohexane-1,2-dicarboxylate
MOLECULAR FORMULA: C14H24O4
MOLECULAR WEIGHT: 256.33796
SMILES: CCCOC(=O)C1CCCCC1C(=O)OCCC
Structure:
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