CAS RN: 65441-90-9
CAS Name: 4-nitrobenzoic acid (3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) ester
OPENEYE Name: (3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) 4-nitrobenzoate
IUPAC Name: (3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) 4-nitrobenzoate
SYSTEMATIC NAME: (3,5,5-trimethyl-1-oxidanidyl-4H-pyrazol-1-ium-3-yl) 4-nitrobenzoate
MOLECULAR FORMULA: C13H15N3O5
MOLECULAR WEIGHT: 293.2753
SMILES: CC1(CC(N=[N+]1[O-])(C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C
Structure:
CAS RN: 65441-82-9
CAS Name: 4-nitrobenzoic acid (3,5,5-trimethyl-4H-pyrazol-3-yl) ester
OPENEYE Name: (3,5,5-trimethyl-4H-pyrazol-3-yl) 4-nitrobenzoate
IUPAC Name: (3,5,5-trimethyl-4H-pyrazol-3-yl) 4-nitrobenzoate
SYSTEMATIC NAME: (3,5,5-trimethyl-4H-pyrazol-3-yl) 4-nitrobenzoate
MOLECULAR FORMULA: C13H15N3O4
MOLECULAR WEIGHT: 277.2759
SMILES: CC1(CC(N=N1)(C)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C
Structure:
CAS RN: 65441-94-3
CAS Name: 4-chlorobenzoic acid (3,5,5-trimethyl-2-oxido-4H-pyrazol-2-ium-3-yl) ester
OPENEYE Name: (3,5,5-trimethyl-2-oxido-4H-pyrazol-2-ium-3-yl) 4-chlorobenzoate
IUPAC Name: (3,5,5-trimethyl-2-oxido-4H-pyrazol-2-ium-3-yl) 4-chlorobenzoate
SYSTEMATIC NAME: (3,5,5-trimethyl-2-oxidanidyl-4H-pyrazol-2-ium-3-yl) 4-chloranylbenzoate
MOLECULAR FORMULA: C13H15ClN2O3
MOLECULAR WEIGHT: 282.7228
SMILES: CC1(CC([N+](=N1)[O-])(C)OC(=O)C2=CC=C(C=C2)Cl)C
Structure:
CAS RN: 65441-86-3
CAS Name: 4-chlorobenzoic acid (3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) ester
OPENEYE Name: (3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) 4-chlorobenzoate
IUPAC Name: (3,5,5-trimethyl-1-oxido-4H-pyrazol-1-ium-3-yl) 4-chlorobenzoate
SYSTEMATIC NAME: (3,5,5-trimethyl-1-oxidanidyl-4H-pyrazol-1-ium-3-yl) 4-chloranylbenzoate
MOLECULAR FORMULA: C13H15ClN2O3
MOLECULAR WEIGHT: 282.7228
SMILES: CC1(CC(N=[N+]1[O-])(C)OC(=O)C2=CC=C(C=C2)Cl)C
Structure:
CAS RN: 62491-04-7
CAS Name: 2-[[2-[bis(carboxymethyl)amino]cyclopropyl]-(carboxymethyl)amino]acetic acid
OPENEYE Name: 2-[[2-[bis(carboxymethyl)amino]cyclopropyl]-(carboxymethyl)amino]acetic acid
IUPAC Name: 2-[[2-[bis(carboxymethyl)amino]cyclopropyl]-(carboxymethyl)amino]acetic acid
SYSTEMATIC NAME: 2-[[2-[bis(2-hydroxy-2-oxoethyl)amino]cyclopropyl]-(2-hydroxy-2-oxoethyl)amino]ethanoic acid
MOLECULAR FORMULA: C11H16N2O8
MOLECULAR WEIGHT: 304.25334
SMILES: C1C(C1N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
Structure:
CAS RN: 52218-08-3
CAS Name: 2-phenyl-2,3-dihydro[1]benzopyrano[2,3-d]pyrimidin-4-one
OPENEYE Name: 2-phenyl-2,3-dihydrochromeno[2,3-d]pyrimidin-4-one
IUPAC Name: 2-phenyl-2,3-dihydrochromeno[2,3-d]pyrimidin-4-one
SYSTEMATIC NAME: 2-phenyl-2,3-dihydrochromeno[2,3-d]pyrimidin-4-one
MOLECULAR FORMULA: C17H12N2O2
MOLECULAR WEIGHT: 276.28938
SMILES: C1=CC=C(C=C1)C2NC(=O)C3=CC4=CC=CC=C4OC3=N2
Structure:
CAS RN: 67231-51-0
CAS Name: 8-ethoxy-2-imino-1-benzopyran-3-carboxamide
OPENEYE Name: 8-ethoxy-2-imino-chromene-3-carboxamide
IUPAC Name: 8-ethoxy-2-iminochromene-3-carboxamide
SYSTEMATIC NAME: 2-azanylidene-8-ethoxy-chromene-3-carboxamide
MOLECULAR FORMULA: C12H12N2O3
MOLECULAR WEIGHT: 232.23528
SMILES: CCOC1=CC=CC2=C1OC(=N)C(=C2)C(=O)N
Structure:
CAS RN: 68950-74-3
CAS Name: 7-methoxy-3-methyl-3-sulfanylidene-1,2,4,5-tetrahydrobenzo[e]phosphindole
OPENEYE Name: 7-methoxy-3-methyl-3-thioxo-1,2,4,5-tetrahydrobenzo[e]phosphindole
IUPAC Name: 7-methoxy-3-methyl-3-sulfanylidene-1,2,4,5-tetrahydrobenzo[e]phosphindole
SYSTEMATIC NAME: 7-methoxy-3-methyl-3-sulfanylidene-1,2,4,5-tetrahydrobenzo[e]phosphindole
MOLECULAR FORMULA: C14H17OPS
MOLECULAR WEIGHT: 264.322941
SMILES: COC1=CC2=C(C=C1)C3=C(CC2)P(=S)(CC3)C
Structure:
CAS RN: 68950-75-4
CAS Name: 7-methoxy-1-methyl-1-sulfanylidene-2,3,4,5-tetrahydrobenzo[g]phosphindole
OPENEYE Name: 7-methoxy-1-methyl-1-thioxo-2,3,4,5-tetrahydrobenzo[g]phosphindole
IUPAC Name: 7-methoxy-1-methyl-1-sulfanylidene-2,3,4,5-tetrahydrobenzo[g]phosphindole
SYSTEMATIC NAME: 7-methoxy-1-methyl-1-sulfanylidene-2,3,4,5-tetrahydrobenzo[g]phosphindole
MOLECULAR FORMULA: C14H17OPS
MOLECULAR WEIGHT: 264.322941
SMILES: COC1=CC2=C(C=C1)C3=C(CC2)CCP3(=S)C
Structure:
CAS RN: 64010-86-2
CAS Name: N-cyclohexyl-1-methyl-1-sulfanylidene-2,3-dihydro-1$l^{5}-phosphol-4-amine
OPENEYE Name: N-cyclohexyl-1-methyl-1-thioxo-2,3-dihydro-1$l^{5}-phosphol-4-amine
IUPAC Name: N-cyclohexyl-1-methyl-1-sulfanylidene-2,3-dihydro-1$l^{5}-phosphol-4-amine
SYSTEMATIC NAME: N-cyclohexyl-1-methyl-1-sulfanylidene-2,3-dihydro-1$l^{5}-phosphol-4-amine
MOLECULAR FORMULA: C11H20NPS
MOLECULAR WEIGHT: 229.321961
SMILES: CP1(=S)CCC(=C1)NC2CCCCC2
Structure:
CAS RN: 58311-82-3
CAS Name: 4-methoxy-1-methyl-1-sulfanylidene-2,3-dihydro-1$l^{5}-phosphole
OPENEYE Name: 4-methoxy-1-methyl-1-thioxo-2,3-dihydro-1$l^{5}-phosphole
IUPAC Name: 4-methoxy-1-methyl-1-sulfanylidene-2,3-dihydro-1$l^{5}-phosphole
SYSTEMATIC NAME: 4-methoxy-1-methyl-1-sulfanylidene-2,3-dihydro-1$l^{5}-phosphole
MOLECULAR FORMULA: C6H11OPS
MOLECULAR WEIGHT: 162.189701
SMILES: COC1=CP(=S)(CC1)C
Structure:
CAS RN: 68950-73-2
CAS Name: 3-methyl-3-oxo-1,2,4,5-tetrahydrobenzo[e]phosphindol-7-ol
OPENEYE Name: 3-methyl-3-oxo-1,2,4,5-tetrahydrobenzo[e]phosphindol-7-ol
IUPAC Name: 3-methyl-3-oxo-1,2,4,5-tetrahydrobenzo[e]phosphindol-7-ol
SYSTEMATIC NAME: 3-methyl-3-oxidanylidene-1,2,4,5-tetrahydrobenzo[e]phosphindol-7-ol
MOLECULAR FORMULA: C13H15O2P
MOLECULAR WEIGHT: 234.230761
SMILES: CP1(=O)CCC2=C1CCC3=C2C=CC(=C3)O
Structure:
CAS RN: 2020-50-0
CAS Name: acetic acid 2-(2-hydroxyethylthio)ethyl ester
OPENEYE Name: 2-(2-hydroxyethylsulfanyl)ethyl acetate
IUPAC Name: 2-(2-hydroxyethylsulfanyl)ethyl acetate
SYSTEMATIC NAME: 2-(2-hydroxyethylsulfanyl)ethyl ethanoate
MOLECULAR FORMULA: C6H12O3S
MOLECULAR WEIGHT: 164.22268
SMILES: CC(=O)OCCSCCO
Structure:
CAS RN: 56267-50-6
CAS Name: N-thiophen-2-ylcarbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(2-thienyl)carbamate
IUPAC Name: tert-butyl N-thiophen-2-ylcarbamate
SYSTEMATIC NAME: tert-butyl N-thiophen-2-ylcarbamate
MOLECULAR FORMULA: C9H13NO2S
MOLECULAR WEIGHT: 199.27002
SMILES: CC(C)(C)OC(=O)NC1=CC=CS1
Structure:
CAS RN: 62370-77-8
CAS Name: 4-(1-isoquinolinyl)-1-methyl-4-piperidinol
OPENEYE Name: 4-(1-isoquinolyl)-1-methyl-piperidin-4-ol
IUPAC Name: 4-isoquinolin-1-yl-1-methylpiperidin-4-ol
SYSTEMATIC NAME: 4-isoquinolin-1-yl-1-methyl-piperidin-4-ol
MOLECULAR FORMULA: C15H18N2O
MOLECULAR WEIGHT: 242.31622
SMILES: CN1CCC(CC1)(C2=NC=CC3=CC=CC=C32)O
Structure:
CAS RN: 62370-82-5
CAS Name: 4-(6,7-dimethoxy-1-isoquinolinyl)-1-methyl-4-piperidinol
OPENEYE Name: 4-(6,7-dimethoxy-1-isoquinolyl)-1-methyl-piperidin-4-ol
IUPAC Name: 4-(6,7-dimethoxyisoquinolin-1-yl)-1-methylpiperidin-4-ol
SYSTEMATIC NAME: 4-(6,7-dimethoxyisoquinolin-1-yl)-1-methyl-piperidin-4-ol
MOLECULAR FORMULA: C17H22N2O3
MOLECULAR WEIGHT: 302.36818
SMILES: CN1CCC(CC1)(C2=NC=CC3=CC(=C(C=C32)OC)OC)O
Structure:
CAS RN: 54923-40-9
CAS Name: benzoic acid [1-(1-isoquinolinyl)cyclohexyl] ester
OPENEYE Name: [1-(1-isoquinolyl)cyclohexyl] benzoate
IUPAC Name: (1-isoquinolin-1-ylcyclohexyl) benzoate
SYSTEMATIC NAME: (1-isoquinolin-1-ylcyclohexyl) benzoate
MOLECULAR FORMULA: C22H21NO2
MOLECULAR WEIGHT: 331.40764
SMILES: C1CCC(CC1)(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4
Structure:
CAS RN: 61766-90-3
CAS Name: N,N-diethyl-5-hydrazinyl-4-methyl-1,1-dioxo-1$l^{6},2-benzothiazepin-3-amine
OPENEYE Name: N,N-diethyl-5-hydrazino-4-methyl-1,1-dioxo-1$l^{6},2-benzothiazepin-3-amine
IUPAC Name: N,N-diethyl-5-hydrazinyl-4-methyl-1,1-dioxo-1$l^{6},2-benzothiazepin-3-amine
SYSTEMATIC NAME: 5-diazanyl-N,N-diethyl-4-methyl-1,1-bis(oxidanylidene)-1$l^{6},2-benzothiazepin-3-amine
MOLECULAR FORMULA: C14H20N4O2S
MOLECULAR WEIGHT: 308.3992
SMILES: CCN(CC)C1=NS(=O)(=O)C2=CC=CC=C2C(=C1C)NN
Structure:
CAS RN: 32884-25-6
CAS Name: 2-(4-methoxy-2-phenylmethoxyphenyl)acetonitrile
OPENEYE Name: 2-(2-benzyloxy-4-methoxy-phenyl)acetonitrile
IUPAC Name: 2-(4-methoxy-2-phenylmethoxyphenyl)acetonitrile
SYSTEMATIC NAME: 2-(4-methoxy-2-phenylmethoxy-phenyl)ethanenitrile
MOLECULAR FORMULA: C16H15NO2
MOLECULAR WEIGHT: 253.2958
SMILES: COC1=CC(=C(C=C1)CC#N)OCC2=CC=CC=C2
Structure:
CAS RN: 101564-44-7
CAS Name: 2-(1-cyclohex-2-enyl)-2-hydroxy-2-phenylacetic acid (1-methyl-4-piperidinyl) ester
OPENEYE Name: (1-methyl-4-piperidyl) 2-cyclohex-2-en-1-yl-2-hydroxy-2-phenyl-acetate
IUPAC Name: (1-methylpiperidin-4-yl) 2-cyclohex-2-en-1-yl-2-hydroxy-2-phenylacetate
SYSTEMATIC NAME: (1-methylpiperidin-4-yl) 2-cyclohex-2-en-1-yl-2-oxidanyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C20H27NO3
MOLECULAR WEIGHT: 329.43328
SMILES: CN1CCC(CC1)OC(=O)C(C2CCCC=C2)(C3=CC=CC=C3)O
Structure:
CAS RN: 101932-08-5
CAS Name: 2-cyclopentyl-2-hydroxy-5-methyl-3-hexynoic acid (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) ester
OPENEYE Name: (2-methylquinuclidin-3-yl) 2-cyclopentyl-2-hydroxy-5-methyl-hex-3-ynoate
IUPAC Name: (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-cyclopentyl-2-hydroxy-5-methylhex-3-ynoate
SYSTEMATIC NAME: (2-methyl-1-azabicyclo[2.2.2]octan-3-yl) 2-cyclopentyl-5-methyl-2-oxidanyl-hex-3-ynoate
MOLECULAR FORMULA: C20H31NO3
MOLECULAR WEIGHT: 333.46504
SMILES: CC1C(C2CCN1CC2)OC(=O)C(C#CC(C)C)(C3CCCC3)O
Structure:
CAS RN: 5954-28-9
CAS Name: phosphoric acid diethyl 1-methylethenyl ester
OPENEYE Name: diethyl isopropenyl phosphate
IUPAC Name: diethyl prop-1-en-2-yl phosphate
SYSTEMATIC NAME: diethyl prop-1-en-2-yl phosphate
MOLECULAR FORMULA: C7H15O4P
MOLECULAR WEIGHT: 194.165361
SMILES: CCOP(=O)(OCC)OC(=C)C
Structure:
CAS RN: 18714-08-4
CAS Name: (2,5-dimethylphenyl)imino-triethoxyphosphorane
OPENEYE Name: (2,5-dimethylphenyl)imino-triethoxy-$l^{5}-phosphane
IUPAC Name: (2,5-dimethylphenyl)imino-triethoxy-$l^{5}-phosphane
SYSTEMATIC NAME: (2,5-dimethylphenyl)imino-triethoxy-$l^{5}-phosphane
MOLECULAR FORMULA: C14H24NO3P
MOLECULAR WEIGHT: 285.319021
SMILES: CCOP(=NC1=C(C=CC(=C1)C)C)(OCC)OCC
Structure:
CAS RN: 22700-43-2
CAS Name: N-diethoxyphosphoryl-2-methoxyaniline
OPENEYE Name: N-diethoxyphosphoryl-2-methoxy-aniline
IUPAC Name: N-diethoxyphosphoryl-2-methoxyaniline
SYSTEMATIC NAME: N-diethoxyphosphoryl-2-methoxy-aniline
MOLECULAR FORMULA: C11H18NO4P
MOLECULAR WEIGHT: 259.238681
SMILES: CCOP(=O)(NC1=CC=CC=C1OC)OCC
Structure:
CAS RN: 22700-44-3
CAS Name: N-diethoxyphosphoryl-4-methoxyaniline
OPENEYE Name: N-diethoxyphosphoryl-4-methoxy-aniline
IUPAC Name: N-diethoxyphosphoryl-4-methoxyaniline
SYSTEMATIC NAME: N-diethoxyphosphoryl-4-methoxy-aniline
MOLECULAR FORMULA: C11H18NO4P
MOLECULAR WEIGHT: 259.238681
SMILES: CCOP(=O)(NC1=CC=C(C=C1)OC)OCC
Structure:
CAS RN: 22846-97-5
CAS Name: N-diethoxyphosphoryl-2,5-dimethylaniline
OPENEYE Name: N-diethoxyphosphoryl-2,5-dimethyl-aniline
IUPAC Name: N-diethoxyphosphoryl-2,5-dimethylaniline
SYSTEMATIC NAME: N-diethoxyphosphoryl-2,5-dimethyl-aniline
MOLECULAR FORMULA: C12H20NO3P
MOLECULAR WEIGHT: 257.265861
SMILES: CCOP(=O)(NC1=C(C=CC(=C1)C)C)OCC
Structure:
CAS RN: 22767-82-4
CAS Name: N-diethoxyphosphoryl-2,4-dimethylaniline
OPENEYE Name: N-diethoxyphosphoryl-2,4-dimethyl-aniline
IUPAC Name: N-diethoxyphosphoryl-2,4-dimethylaniline
SYSTEMATIC NAME: N-diethoxyphosphoryl-2,4-dimethyl-aniline
MOLECULAR FORMULA: C12H20NO3P
MOLECULAR WEIGHT: 257.265861
SMILES: CCOP(=O)(NC1=C(C=C(C=C1)C)C)OCC
Structure:
CAS RN: 22700-46-5
CAS Name: 3-(diethoxyphosphorylamino)benzoic acid methyl ester
OPENEYE Name: methyl 3-(diethoxyphosphorylamino)benzoate
IUPAC Name: methyl 3-(diethoxyphosphorylamino)benzoate
SYSTEMATIC NAME: methyl 3-(diethoxyphosphorylamino)benzoate
MOLECULAR FORMULA: C12H18NO5P
MOLECULAR WEIGHT: 287.248781
SMILES: CCOP(=O)(NC1=CC=CC(=C1)C(=O)OC)OCC
Structure:
CAS RN: 22700-22-7
CAS Name: 4-(diethoxyphosphorylamino)benzoic acid methyl ester
OPENEYE Name: methyl 4-(diethoxyphosphorylamino)benzoate
IUPAC Name: methyl 4-(diethoxyphosphorylamino)benzoate
SYSTEMATIC NAME: methyl 4-(diethoxyphosphorylamino)benzoate
MOLECULAR FORMULA: C12H18NO5P
MOLECULAR WEIGHT: 287.248781
SMILES: CCOP(=O)(NC1=CC=C(C=C1)C(=O)OC)OCC
Structure:
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