CAS RN: 149654-07-9
CAS Name: 2,6-dimethyl-4-(2-nitrosophenyl)-5-[oxo(3-oxobutan-2-yloxy)methyl]-3-pyridinecarboxylic acid
OPENEYE Name: 2,6-dimethyl-5-(1-methyl-2-oxo-propoxy)carbonyl-4-(2-nitrosophenyl)pyridine-3-carboxylic acid
IUPAC Name: 2,6-dimethyl-4-(2-nitrosophenyl)-5-(3-oxobutan-2-yloxycarbonyl)pyridine-3-carboxylic acid
SYSTEMATIC NAME: 2,6-dimethyl-4-(2-nitrosophenyl)-5-(3-oxidanylidenebutan-2-yloxycarbonyl)pyridine-3-carboxylic acid
MOLECULAR FORMULA: C19H18N2O6
MOLECULAR WEIGHT: 370.35602
SMILES: CC1=C(C(=C(C(=N1)C)C(=O)O)C2=CC=CC=C2N=O)C(=O)OC(C)C(=O)C
Structure:
CAS RN: 149598-64-1
CAS Name: 2-[[[(5S,6S)-5-[[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[[(2S,3R,4S,5R)-3,4,5-trihydroxy-2-oxanyl]oxy]-2-oxanyl]oxy]-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxo-11-[[(2R,3S,4R,5S)-3,4,5-trihydroxy-2-oxanyl]oxy]-5,6-dihydrobenzo[a]tetracen-2-yl]-oxomethyl
OPENEYE Name: 2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxo-11-[(2R,3S,4R,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-5,6-dihydrobenzo
IUPAC Name: 2-[[(5S,6S)-5-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxo-11-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acet
SYSTEMATIC NAME: 2-[[(5S,6S)-3-methyl-5-[(2S,3R,4S,5S,6R)-6-methyl-3,5-bis(oxidanyl)-4-[(2S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxan-2-yl]oxy-1,6,9,14-tetrakis(oxidanyl)-8,13-bis(oxidanylidene)-11-[(2R,3S,4R,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,6-dihydrobenzo[a
MOLECULAR FORMULA: C42H45NO23
MOLECULAR WEIGHT: 931.7996
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=C(C4=C(C(=C(C=C24)C)C(=O)NCC(=O)O)O)C(=C5C(=C3)C(=O)C6=C(C=C(C=C6C5=O)O[C@@H]7[C@H]([C@@H]([C@H](CO7)O)O)O)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O
Structure:
CAS RN: 149598-63-0
CAS Name: 2-[[oxo-[(5S,6S)-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxo-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-11-[[(2R,3S,4R,5S)-3,4,5-trihydroxy-2-oxanyl]oxy]-5,6-dihydrobenzo[a]tetracen-2-yl]methyl]amino]acetic acid
OPENEYE Name: 2-[[(5S,6S)-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxo-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-11-[(2R,3S,4R,5S)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid
IUPAC Name: 2-[[(5S,6S)-1,6,9,14-tetrahydroxy-3-methyl-8,13-dioxo-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-11-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-5,6-dihydrobenzo[a]tetracene-2-carbonyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(5S,6S)-3-methyl-5-[(2S,3R,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-1,6,9,14-tetrakis(oxidanyl)-8,13-bis(oxidanylidene)-11-[(2R,3S,4R,5S)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,6-dihydrobenzo[a]tetracen-2-yl]carbonylamino]ethanoic acid
MOLECULAR FORMULA: C37H37NO19
MOLECULAR WEIGHT: 799.68498
SMILES: C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O[C@@H]2[C@H](C3=C(C4=C(C(=C(C=C24)C)C(=O)NCC(=O)O)O)C(=C5C(=C3)C(=O)C6=C(C=C(C=C6C5=O)O[C@@H]7[C@H]([C@@H]([C@H](CO7)O)O)O)O)O)O)O)O)O
Structure:
CAS RN: 149439-92-9
CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]acetic acid (5-fluoro-2,4-dioxo-1-pyrimidinyl)methyl ester
OPENEYE Name: (5-fluoro-2,4-dioxo-pyrimidin-1-yl)methyl 2-(tert-butoxycarbonylamino)acetate
IUPAC Name: (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SYSTEMATIC NAME: [5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]ethanoate
MOLECULAR FORMULA: C12H16FN3O6
MOLECULAR WEIGHT: 317.270343
SMILES: CC(C)(C)OC(=O)NCC(=O)OCN1C=C(C(=O)NC1=O)F
Structure:
CAS RN: 149338-26-1
CAS Name: 5-chloro-N-(4-fluorophenyl)-2-nitro-1-benzothiophen-3-amine
OPENEYE Name: 5-chloro-N-(4-fluorophenyl)-2-nitro-benzothiophen-3-amine
IUPAC Name: 5-chloro-N-(4-fluorophenyl)-2-nitro-1-benzothiophen-3-amine
SYSTEMATIC NAME: 5-chloranyl-N-(4-fluorophenyl)-2-nitro-1-benzothiophen-3-amine
MOLECULAR FORMULA: C14H8ClFN2O2S
MOLECULAR WEIGHT: 322.741923
SMILES: C1=CC(=CC=C1NC2=C(SC3=C2C=C(C=C3)Cl)[N+](=O)[O-])F
Structure:
CAS RN: 149338-24-9
CAS Name: N1-(5-chloro-2-nitro-1-benzothiophen-3-yl)-N4,N4-diethylbenzene-1,4-diamine
OPENEYE Name: N1-(5-chloro-2-nitro-benzothiophen-3-yl)-N4,N4-diethyl-benzene-1,4-diamine
IUPAC Name: 1-N-(5-chloro-2-nitro-1-benzothiophen-3-yl)-4-N,4-N-diethylbenzene-1,4-diamine
SYSTEMATIC NAME: N1-(5-chloranyl-2-nitro-1-benzothiophen-3-yl)-N4,N4-diethyl-benzene-1,4-diamine
MOLECULAR FORMULA: C18H18ClN3O2S
MOLECULAR WEIGHT: 375.87242
SMILES: CCN(CC)C1=CC=C(C=C1)NC2=C(SC3=C2C=C(C=C3)Cl)[N+](=O)[O-]
Structure:
CAS RN: 149338-23-8
CAS Name: N1-(5-chloro-2-nitro-1-benzothiophen-3-yl)-N4,N4-dimethylbenzene-1,4-diamine
OPENEYE Name: N1-(5-chloro-2-nitro-benzothiophen-3-yl)-N4,N4-dimethyl-benzene-1,4-diamine
IUPAC Name: 1-N-(5-chloro-2-nitro-1-benzothiophen-3-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
SYSTEMATIC NAME: N1-(5-chloranyl-2-nitro-1-benzothiophen-3-yl)-N4,N4-dimethyl-benzene-1,4-diamine
MOLECULAR FORMULA: C16H14ClN3O2S
MOLECULAR WEIGHT: 347.81926
SMILES: CN(C)C1=CC=C(C=C1)NC2=C(SC3=C2C=C(C=C3)Cl)[N+](=O)[O-]
Structure:
CAS RN: 149338-22-7
CAS Name: 5-chloro-N-[3-(4-morpholinyl)propyl]-2-nitro-1-benzothiophen-3-amine
OPENEYE Name: 5-chloro-N-(3-morpholinopropyl)-2-nitro-benzothiophen-3-amine
IUPAC Name: 5-chloro-N-(3-morpholin-4-ylpropyl)-2-nitro-1-benzothiophen-3-amine
SYSTEMATIC NAME: 5-chloranyl-N-(3-morpholin-4-ylpropyl)-2-nitro-1-benzothiophen-3-amine
MOLECULAR FORMULA: C15H18ClN3O3S
MOLECULAR WEIGHT: 355.83972
SMILES: C1COCCN1CCCNC2=C(SC3=C2C=C(C=C3)Cl)[N+](=O)[O-]
Structure:
CAS RN: 149338-21-6
CAS Name: 5-chloro-N-[2-(4-morpholinyl)ethyl]-2-nitro-1-benzothiophen-3-amine
OPENEYE Name: 5-chloro-N-(2-morpholinoethyl)-2-nitro-benzothiophen-3-amine
IUPAC Name: 5-chloro-N-(2-morpholin-4-ylethyl)-2-nitro-1-benzothiophen-3-amine
SYSTEMATIC NAME: 5-chloranyl-N-(2-morpholin-4-ylethyl)-2-nitro-1-benzothiophen-3-amine
MOLECULAR FORMULA: C14H16ClN3O3S
MOLECULAR WEIGHT: 341.81314
SMILES: C1COCCN1CCNC2=C(SC3=C2C=C(C=C3)Cl)[N+](=O)[O-]
Structure:
CAS RN: 149338-20-5
CAS Name: 5-chloro-N-[3-(2-methyl-1-piperidinyl)propyl]-2-nitro-1-benzothiophen-3-amine
OPENEYE Name: 5-chloro-N-[3-(2-methyl-1-piperidyl)propyl]-2-nitro-benzothiophen-3-amine
IUPAC Name: 5-chloro-N-[3-(2-methylpiperidin-1-yl)propyl]-2-nitro-1-benzothiophen-3-amine
SYSTEMATIC NAME: 5-chloranyl-N-[3-(2-methylpiperidin-1-yl)propyl]-2-nitro-1-benzothiophen-3-amine
MOLECULAR FORMULA: C17H22ClN3O2S
MOLECULAR WEIGHT: 367.89348
SMILES: CC1CCCCN1CCCNC2=C(SC3=C2C=C(C=C3)Cl)[N+](=O)[O-]
Structure:
CAS RN: 149338-19-2
CAS Name: 1-[3-[(5-chloro-2-nitro-1-benzothiophen-3-yl)amino]propyl]-2-pyrrolidinone
OPENEYE Name: 1-[3-[(5-chloro-2-nitro-benzothiophen-3-yl)amino]propyl]pyrrolidin-2-one
IUPAC Name: 1-[3-[(5-chloro-2-nitro-1-benzothiophen-3-yl)amino]propyl]pyrrolidin-2-one
SYSTEMATIC NAME: 1-[3-[(5-chloranyl-2-nitro-1-benzothiophen-3-yl)amino]propyl]pyrrolidin-2-one
MOLECULAR FORMULA: C15H16ClN3O3S
MOLECULAR WEIGHT: 353.82384
SMILES: C1CC(=O)N(C1)CCCNC2=C(SC3=C2C=C(C=C3)Cl)[N+](=O)[O-]
Structure:
CAS RN: 149338-18-1
CAS Name: 5-chloro-2-nitro-N-[2-(1-pyrrolidinyl)ethyl]-1-benzothiophen-3-amine
OPENEYE Name: 5-chloro-2-nitro-N-(2-pyrrolidin-1-ylethyl)benzothiophen-3-amine
IUPAC Name: 5-chloro-2-nitro-N-(2-pyrrolidin-1-ylethyl)-1-benzothiophen-3-amine
SYSTEMATIC NAME: 5-chloranyl-2-nitro-N-(2-pyrrolidin-1-ylethyl)-1-benzothiophen-3-amine
MOLECULAR FORMULA: C14H16ClN3O2S
MOLECULAR WEIGHT: 325.81374
SMILES: C1CCN(C1)CCNC2=C(SC3=C2C=C(C=C3)Cl)[N+](=O)[O-]
Structure:
CAS RN: 149338-17-0
CAS Name: N-(5-chloro-2-nitro-1-benzothiophen-3-yl)-N',N'-diethylethane-1,2-diamine
OPENEYE Name: N-(5-chloro-2-nitro-benzothiophen-3-yl)-N',N'-diethyl-ethane-1,2-diamine
IUPAC Name: N-(5-chloro-2-nitro-1-benzothiophen-3-yl)-N',N'-diethylethane-1,2-diamine
SYSTEMATIC NAME: N-(5-chloranyl-2-nitro-1-benzothiophen-3-yl)-N',N'-diethyl-ethane-1,2-diamine
MOLECULAR FORMULA: C14H18ClN3O2S
MOLECULAR WEIGHT: 327.82962
SMILES: CCN(CC)CCNC1=C(SC2=C1C=C(C=C2)Cl)[N+](=O)[O-]
Structure:
CAS RN: 149338-16-9
CAS Name: N-(5-chloro-2-nitro-1-benzothiophen-3-yl)-N',N'-dimethylpropane-1,3-diamine
OPENEYE Name: N-(5-chloro-2-nitro-benzothiophen-3-yl)-N',N'-dimethyl-propane-1,3-diamine
IUPAC Name: N-(5-chloro-2-nitro-1-benzothiophen-3-yl)-N',N'-dimethylpropane-1,3-diamine
SYSTEMATIC NAME: N-(5-chloranyl-2-nitro-1-benzothiophen-3-yl)-N',N'-dimethyl-propane-1,3-diamine
MOLECULAR FORMULA: C13H16ClN3O2S
MOLECULAR WEIGHT: 313.80304
SMILES: CN(C)CCCNC1=C(SC2=C1C=C(C=C2)Cl)[N+](=O)[O-]
Structure:
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