CAS RN: 58581-52-5
CAS Name: 2-(hydroxyamino)acetic acid (phenylmethyl) ester
OPENEYE Name: benzyl 2-(hydroxyamino)acetate
IUPAC Name: benzyl 2-(hydroxyamino)acetate
SYSTEMATIC NAME: (phenylmethyl) 2-(oxidanylamino)ethanoate
MOLECULAR FORMULA: C9H11NO3
MOLECULAR WEIGHT: 181.18854
SMILES: C1=CC=C(C=C1)COC(=O)CNO
Structure:
CAS RN: 69164-82-5
CAS Name: 2-amino-4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]sulfamoyl]butanoic acid
OPENEYE Name: 2-amino-4-[(tert-butoxycarbonylamino)sulfamoyl]butanoic acid
IUPAC Name: 2-amino-4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]butanoic acid
SYSTEMATIC NAME: 2-azanyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]butanoic acid
MOLECULAR FORMULA: C9H19N3O6S
MOLECULAR WEIGHT: 297.32866
SMILES: CC(C)(C)OC(=O)NNS(=O)(=O)CCC(C(=O)O)N
Structure:
CAS RN: 69164-76-7
CAS Name: 4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]sulfamoyl]-2-(phenylmethoxycarbonylamino)butanoic acid (phenylmethyl) ester
OPENEYE Name: benzyl 2-(benzyloxycarbonylamino)-4-[(tert-butoxycarbonylamino)sulfamoyl]butanoate
IUPAC Name: benzyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]-2-(phenylmethoxycarbonylamino)butanoate
SYSTEMATIC NAME: (phenylmethyl) 4-[[(2-methylpropan-2-yl)oxycarbonylamino]sulfamoyl]-2-(phenylmethoxycarbonylamino)butanoate
MOLECULAR FORMULA: C24H31N3O8S
MOLECULAR WEIGHT: 521.58324
SMILES: CC(C)(C)OC(=O)NNS(=O)(=O)CCC(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 67031-18-9
CAS Name: 2-(4-methoxyphenyl)-4-oxobutanoic acid methyl ester
OPENEYE Name: methyl 2-(4-methoxyphenyl)-4-oxo-butanoate
IUPAC Name: methyl 2-(4-methoxyphenyl)-4-oxobutanoate
SYSTEMATIC NAME: methyl 2-(4-methoxyphenyl)-4-oxidanylidene-butanoate
MOLECULAR FORMULA: C12H14O4
MOLECULAR WEIGHT: 222.23716
SMILES: COC1=CC=C(C=C1)C(CC=O)C(=O)OC
Structure:
CAS RN: 67031-17-8
CAS Name: 2-(4-chlorophenyl)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoic acid methyl ester
OPENEYE Name: methyl 2-(4-chlorophenyl)-4-[(2,4-dinitrophenyl)hydrazono]butanoate
IUPAC Name: methyl 2-(4-chlorophenyl)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoate
SYSTEMATIC NAME: methyl 2-(4-chlorophenyl)-4-[(2,4-dinitrophenyl)hydrazinylidene]butanoate
MOLECULAR FORMULA: C17H15ClN4O6
MOLECULAR WEIGHT: 406.7772
SMILES: COC(=O)C(CC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC=C(C=C2)Cl
Structure:
CAS RN: 55524-25-9
CAS Name: 1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
OPENEYE Name: 1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
IUPAC Name: 1-[2-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: 3-(4-hydroxyphenyl)-1-[4-(3-methylbut-2-enoxy)-2-oxidanyl-phenyl]prop-2-en-1-one
MOLECULAR FORMULA: C20H20O4
MOLECULAR WEIGHT: 324.3704
SMILES: CC(=CCOC1=CC(=C(C=C1)C(=O)C=CC2=CC=C(C=C2)O)O)C
Structure:
CAS RN: 51619-58-0
CAS Name: 1-(5-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl)-3-phenyl-2-propen-1-one
OPENEYE Name: 1-(5-hydroxy-2,2-dimethyl-chroman-6-yl)-3-phenyl-prop-2-en-1-one
IUPAC Name: 1-(5-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-phenylprop-2-en-1-one
SYSTEMATIC NAME: 1-(2,2-dimethyl-5-oxidanyl-3,4-dihydrochromen-6-yl)-3-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C20H20O3
MOLECULAR WEIGHT: 308.371
SMILES: CC1(CCC2=C(O1)C=CC(=C2O)C(=O)C=CC3=CC=CC=C3)C
Structure:
CAS RN: 51619-57-9
CAS Name: 1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-phenyl-2-propen-1-one
OPENEYE Name: 1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-phenyl-prop-2-en-1-one
IUPAC Name: 1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-phenylprop-2-en-1-one
SYSTEMATIC NAME: 1-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-3-phenyl-prop-2-en-1-one
MOLECULAR FORMULA: C20H20O3
MOLECULAR WEIGHT: 308.371
SMILES: CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=CC=CC=C2)O)C
Structure:
CAS RN: 29941-72-8
CAS Name: N-cyclohexyl-1-(1-methyl-5-nitro-2-imidazolyl)methanimine oxide
OPENEYE Name: N-cyclohexyl-1-(1-methyl-5-nitro-imidazol-2-yl)methanimine oxide
IUPAC Name: N-cyclohexyl-1-(1-methyl-5-nitroimidazol-2-yl)methanimine oxide
SYSTEMATIC NAME: N-cyclohexyl-1-(1-methyl-5-nitro-imidazol-2-yl)methanimine oxide
MOLECULAR FORMULA: C11H16N4O3
MOLECULAR WEIGHT: 252.26974
SMILES: CN1C(=CN=C1C=[N+](C2CCCCC2)[O-])[N+](=O)[O-]
Structure:
CAS RN: 29941-69-3
CAS Name: N-(2-hydroxyethyl)-1-(1-methyl-5-nitro-2-imidazolyl)methanimine oxide
OPENEYE Name: N-(2-hydroxyethyl)-1-(1-methyl-5-nitro-imidazol-2-yl)methanimine oxide
IUPAC Name: N-(2-hydroxyethyl)-1-(1-methyl-5-nitroimidazol-2-yl)methanimine oxide
SYSTEMATIC NAME: N-(2-hydroxyethyl)-1-(1-methyl-5-nitro-imidazol-2-yl)methanimine oxide
MOLECULAR FORMULA: C7H10N4O4
MOLECULAR WEIGHT: 214.1787
SMILES: CN1C(=CN=C1C=[N+](CCO)[O-])[N+](=O)[O-]
Structure:
CAS RN: 42021-71-6
CAS Name: N-cyclohexyl-1-[1-(2-hydroxyethyl)-5-nitro-2-imidazolyl]methanimine oxide
OPENEYE Name: N-cyclohexyl-1-[1-(2-hydroxyethyl)-5-nitro-imidazol-2-yl]methanimine oxide
IUPAC Name: N-cyclohexyl-1-[1-(2-hydroxyethyl)-5-nitroimidazol-2-yl]methanimine oxide
SYSTEMATIC NAME: N-cyclohexyl-1-[1-(2-hydroxyethyl)-5-nitro-imidazol-2-yl]methanimine oxide
MOLECULAR FORMULA: C12H18N4O4
MOLECULAR WEIGHT: 282.29572
SMILES: C1CCC(CC1)[N+](=CC2=NC=C(N2CCO)[N+](=O)[O-])[O-]
Structure:
CAS RN: 42021-72-7
CAS Name: 1-[1-(2-acetyloxyethyl)-5-nitro-2-imidazolyl]-N-methylmethanimine oxide
OPENEYE Name: 1-[1-(2-acetoxyethyl)-5-nitro-imidazol-2-yl]-N-methyl-methanimine oxide
IUPAC Name: 1-[1-(2-acetyloxyethyl)-5-nitroimidazol-2-yl]-N-methylmethanimine oxide
SYSTEMATIC NAME: 1-[1-(2-acetyloxyethyl)-5-nitro-imidazol-2-yl]-N-methyl-methanimine oxide
MOLECULAR FORMULA: C9H12N4O5
MOLECULAR WEIGHT: 256.21538
SMILES: CC(=O)OCCN1C(=CN=C1C=[N+](C)[O-])[N+](=O)[O-]
Structure:
CAS RN: 42021-69-2
CAS Name: 1-[1-(2-hydroxyethyl)-5-nitro-2-imidazolyl]-N-methylmethanimine oxide
OPENEYE Name: 1-[1-(2-hydroxyethyl)-5-nitro-imidazol-2-yl]-N-methyl-methanimine oxide
IUPAC Name: 1-[1-(2-hydroxyethyl)-5-nitroimidazol-2-yl]-N-methylmethanimine oxide
SYSTEMATIC NAME: 1-[1-(2-hydroxyethyl)-5-nitro-imidazol-2-yl]-N-methyl-methanimine oxide
MOLECULAR FORMULA: C7H10N4O4
MOLECULAR WEIGHT: 214.1787
SMILES: C[N+](=CC1=NC=C(N1CCO)[N+](=O)[O-])[O-]
Structure:
CAS RN: 112677-67-5
CAS Name: 3-(1-imidazolyl)aniline
OPENEYE Name: 3-imidazol-1-ylaniline
IUPAC Name: 3-imidazol-1-ylaniline
SYSTEMATIC NAME: 3-imidazol-1-ylaniline
MOLECULAR FORMULA: C9H9N3
MOLECULAR WEIGHT: 159.18786
SMILES: C1=CC(=CC(=C1)N)N2C=CN=C2
Structure:
CAS RN: 60474-24-0
CAS Name: 5-methyl-1,2,3-benzothiadiazole
OPENEYE Name: 5-methyl-1,2,3-benzothiadiazole
IUPAC Name: 5-methyl-1,2,3-benzothiadiazole
SYSTEMATIC NAME: 5-methyl-1,2,3-benzothiadiazole
MOLECULAR FORMULA: C7H6N2S
MOLECULAR WEIGHT: 150.20094
SMILES: CC1=CC2=C(C=C1)SN=N2
Structure:
CAS RN: 35213-85-5
CAS Name: 5-methyltetrazolo[1,5-a]quinoline
OPENEYE Name: 5-methyltetrazolo[1,5-a]quinoline
IUPAC Name: 5-methyltetrazolo[1,5-a]quinoline
SYSTEMATIC NAME: 5-methyl-[1,2,3,4]tetrazolo[1,5-a]quinoline
MOLECULAR FORMULA: C10H8N4
MOLECULAR WEIGHT: 184.19732
SMILES: CC1=CC2=NN=NN2C3=CC=CC=C13
Structure:
CAS RN: 55474-79-8
CAS Name: 1,1-dimethyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)guanidine
OPENEYE Name: 1,1-dimethyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)guanidine
IUPAC Name: 1,1-dimethyl-2-(6-methyl-4-oxo-1H-pyrimidin-2-yl)guanidine
SYSTEMATIC NAME: 1,1-dimethyl-2-(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)guanidine
MOLECULAR FORMULA: C8H13N5O
MOLECULAR WEIGHT: 195.22172
SMILES: CC1=CC(=O)N=C(N1)N=C(N)N(C)C
Structure:
CAS RN: 24621-02-1
CAS Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane; sulfuric acid octadecyl ester
OPENEYE Name: 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-1,4-diazepane; octadecyl hydrogen sulfate
IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]-4-methyl-1,4-diazepane; octadecyl hydrogen sulfate
SYSTEMATIC NAME: 1-[(4-chlorophenyl)-phenyl-methyl]-4-methyl-1,4-diazepane; octadecyl hydrogen sulfate
MOLECULAR FORMULA: C37H61ClN2O4S
MOLECULAR WEIGHT: 665.40924
SMILES: CCCCCCCCCCCCCCCCCCOS(=O)(=O)O.CN1CCCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 51305-81-8
CAS Name: N-(4-chloro-2-methylphenyl)-1-thiophen-2-ylmethanimine
OPENEYE Name: N-(4-chloro-2-methyl-phenyl)-1-(2-thienyl)methanimine
IUPAC Name: N-(4-chloro-2-methylphenyl)-1-thiophen-2-ylmethanimine
SYSTEMATIC NAME: N-(4-chloranyl-2-methyl-phenyl)-1-thiophen-2-yl-methanimine
MOLECULAR FORMULA: C12H10ClNS
MOLECULAR WEIGHT: 235.7325
SMILES: CC1=C(C=CC(=C1)Cl)N=CC2=CC=CS2
Structure:
CAS RN: 60246-87-9
CAS Name: 2-(4-nitrophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
OPENEYE Name: 2-(4-nitrophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
IUPAC Name: 2-(4-nitrophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
SYSTEMATIC NAME: 2-(4-nitrophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine
MOLECULAR FORMULA: C21H16N2O2S
MOLECULAR WEIGHT: 360.42894
SMILES: C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]
Structure:
CAS RN: 17866-84-1
CAS Name: N-(4-fluorophenyl)-1-[4-[(4-fluorophenyl)iminomethyl]phenyl]methanimine
OPENEYE Name: N-(4-fluorophenyl)-1-[4-[(4-fluorophenyl)iminomethyl]phenyl]methanimine
IUPAC Name: N-(4-fluorophenyl)-1-[4-[(4-fluorophenyl)iminomethyl]phenyl]methanimine
SYSTEMATIC NAME: N-(4-fluorophenyl)-1-[4-[(4-fluorophenyl)iminomethyl]phenyl]methanimine
MOLECULAR FORMULA: C20H14F2N2
MOLECULAR WEIGHT: 320.335366
SMILES: C1=CC(=CC=C1C=NC2=CC=C(C=C2)F)C=NC3=CC=C(C=C3)F
Structure:
CAS RN: 7525-70-4
CAS Name: 2-(thiophen-2-ylmethylideneamino)benzenethiol
OPENEYE Name: 2-(2-thienylmethyleneamino)benzenethiol
IUPAC Name: 2-(thiophen-2-ylmethylideneamino)benzenethiol
SYSTEMATIC NAME: 2-(thiophen-2-ylmethylideneamino)benzenethiol
MOLECULAR FORMULA: C11H9NS2
MOLECULAR WEIGHT: 219.32586
SMILES: C1=CC=C(C(=C1)N=CC2=CC=CS2)S
Structure:
CAS RN: 39560-80-0
CAS Name: 2-(1-hydrazinylideneethyl)indene-1,3-dione
OPENEYE Name: 2-ethanehydrazonoylindane-1,3-dione
IUPAC Name: 2-ethanehydrazonoylindene-1,3-dione
SYSTEMATIC NAME: 2-ethanehydrazonoylindene-1,3-dione
MOLECULAR FORMULA: C11H10N2O2
MOLECULAR WEIGHT: 202.2093
SMILES: CC(=NN)C1C(=O)C2=CC=CC=C2C1=O
Structure:
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