CAS RN: 18378-03-5
CAS Name: 7-nitro-3-oxido-N-(phenylmethyl)-2,1,3-benzoxadiazol-3-ium-4-amine
OPENEYE Name: N-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine
IUPAC Name: N-benzyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine
SYSTEMATIC NAME: 7-nitro-3-oxidanidyl-N-(phenylmethyl)-2,1,3-benzoxadiazol-3-ium-4-amine
MOLECULAR FORMULA: C13H10N4O4
MOLECULAR WEIGHT: 286.2429
SMILES: C1=CC=C(C=C1)CNC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]
Structure:
CAS RN: 61785-61-3
CAS Name: N,N-dibutyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine
OPENEYE Name: N,N-dibutyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine
IUPAC Name: N,N-dibutyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine
SYSTEMATIC NAME: N,N-dibutyl-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-4-amine
MOLECULAR FORMULA: C14H20N4O4
MOLECULAR WEIGHT: 308.333
SMILES: CCCCN(CCCC)C1=CC=C(C2=NO[N+](=C12)[O-])[N+](=O)[O-]
Structure:
CAS RN: 61785-62-4
CAS Name: N-ethyl-7-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-4-amine
OPENEYE Name: N-ethyl-7-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-4-amine
IUPAC Name: N-ethyl-7-nitro-3-oxido-N-phenyl-2,1,3-benzoxadiazol-3-ium-4-amine
SYSTEMATIC NAME: N-ethyl-7-nitro-3-oxidanidyl-N-phenyl-2,1,3-benzoxadiazol-3-ium-4-amine
MOLECULAR FORMULA: C14H12N4O4
MOLECULAR WEIGHT: 300.26948
SMILES: CCN(C1=CC=CC=C1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]
Structure:
CAS RN: 63642-37-5
CAS Name: N-cyclohexyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine
OPENEYE Name: N-cyclohexyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine
IUPAC Name: N-cyclohexyl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-amine
SYSTEMATIC NAME: N-cyclohexyl-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-4-amine
MOLECULAR FORMULA: C12H14N4O4
MOLECULAR WEIGHT: 278.26396
SMILES: C1CCC(CC1)NC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]
Structure:
CAS RN: 18378-05-7
CAS Name: 4-(4-morpholinyl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
OPENEYE Name: 4-morpholino-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
IUPAC Name: 4-morpholin-4-yl-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium
SYSTEMATIC NAME: 4-morpholin-4-yl-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium
MOLECULAR FORMULA: C10H10N4O5
MOLECULAR WEIGHT: 266.2102
SMILES: C1COCCN1C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]
Structure:
CAS RN: 18678-10-9
CAS Name: N-(3-bromopropyl)carbamic acid ethyl ester
OPENEYE Name: ethyl N-(3-bromopropyl)carbamate
IUPAC Name: ethyl N-(3-bromopropyl)carbamate
SYSTEMATIC NAME: ethyl N-(3-bromanylpropyl)carbamate
MOLECULAR FORMULA: C6H12BrNO2
MOLECULAR WEIGHT: 210.06898
SMILES: CCOC(=O)NCCCBr
Structure:
CAS RN: 63656-11-1
CAS Name: N-(3-chloropropyl)carbamic acid ethyl ester
OPENEYE Name: ethyl N-(3-chloropropyl)carbamate
IUPAC Name: ethyl N-(3-chloropropyl)carbamate
SYSTEMATIC NAME: ethyl N-(3-chloranylpropyl)carbamate
MOLECULAR FORMULA: C6H12ClNO2
MOLECULAR WEIGHT: 165.61798
SMILES: CCOC(=O)NCCCCl
Structure:
CAS RN: 34910-48-0
CAS Name: 2,2-diphenyl-1,4-dihydroindeno[1,2-b]pyrrol-3-one
OPENEYE Name: 2,2-diphenyl-1,4-dihydroindeno[1,2-b]pyrrol-3-one
IUPAC Name: 2,2-diphenyl-1,4-dihydroindeno[1,2-b]pyrrol-3-one
SYSTEMATIC NAME: 2,2-diphenyl-1,4-dihydroindeno[1,2-b]pyrrol-3-one
MOLECULAR FORMULA: C23H17NO
MOLECULAR WEIGHT: 323.38718
SMILES: C1C2=CC=CC=C2C3=C1C(=O)C(N3)(C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 53476-71-4
CAS Name: 1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-2,4-dione
OPENEYE Name: 1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-2,4-dione
IUPAC Name: 1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-2,4-dione
SYSTEMATIC NAME: 1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H12N2O2
MOLECULAR WEIGHT: 180.20378
SMILES: C1CCC2=C(CC1)NC(=O)NC2=O
Structure:
CAS RN: 61431-53-6
CAS Name: 3-(1,2-dimethylcyclohexyl)-2,2-dimethyl-3H-pyran-6-one
OPENEYE Name: 3-(1,2-dimethylcyclohexyl)-2,2-dimethyl-3H-pyran-6-one
IUPAC Name: 3-(1,2-dimethylcyclohexyl)-2,2-dimethyl-3H-pyran-6-one
SYSTEMATIC NAME: 3-(1,2-dimethylcyclohexyl)-2,2-dimethyl-3H-pyran-6-one
MOLECULAR FORMULA: C15H24O2
MOLECULAR WEIGHT: 236.34986
SMILES: CC1CCCCC1(C)C2C=CC(=O)OC2(C)C
Structure:
CAS RN: 59640-57-2
CAS Name: 6-[(2,3-dihydroxypropylthio)methyl]-1H-pyrimidine-2,4-dione
OPENEYE Name: 6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione
IUPAC Name: 6-(2,3-dihydroxypropylsulfanylmethyl)-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 6-[2,3-bis(oxidanyl)propylsulfanylmethyl]-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C8H12N2O4S
MOLECULAR WEIGHT: 232.25688
SMILES: C1=C(NC(=O)NC1=O)CSCC(CO)O
Structure:
CAS RN: 73541-87-4
CAS Name: 3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylthio]propanoic acid
OPENEYE Name: 3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid
IUPAC Name: 3-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]propanoic acid
SYSTEMATIC NAME: 3-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methylsulfanyl]propanoic acid
MOLECULAR FORMULA: C8H10N2O4S
MOLECULAR WEIGHT: 230.241
SMILES: C1=C(NC(=O)NC1=O)CSCCC(=O)O
Structure:
CAS RN: 69774-56-7
CAS Name: 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylthio]acetic acid
OPENEYE Name: 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid
IUPAC Name: 2-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]acetic acid
SYSTEMATIC NAME: 2-[[2,4-bis(oxidanylidene)-1H-pyrimidin-6-yl]methylsulfanyl]ethanoic acid
MOLECULAR FORMULA: C7H8N2O4S
MOLECULAR WEIGHT: 216.21442
SMILES: C1=C(NC(=O)NC1=O)CSCC(=O)O
Structure:
CAS RN: 28447-23-6
CAS Name: N-[[dimethoxyphosphoryl(phenyl)methylidene]amino]-4-methylbenzenesulfonamide
OPENEYE Name: N-[[dimethoxyphosphoryl(phenyl)methylene]amino]-4-methyl-benzenesulfonamide
IUPAC Name: N-[[dimethoxyphosphoryl(phenyl)methylidene]amino]-4-methylbenzenesulfonamide
SYSTEMATIC NAME: N-[[dimethoxyphosphoryl(phenyl)methylidene]amino]-4-methyl-benzenesulfonamide
MOLECULAR FORMULA: C16H19N2O5PS
MOLECULAR WEIGHT: 382.371221
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NN=C(C2=CC=CC=C2)P(=O)(OC)OC
Structure:
CAS RN: 86674-15-9
CAS Name: N-methyl-N,4-dinitrobenzenesulfonamide
OPENEYE Name: N-methyl-N,4-dinitro-benzenesulfonamide
IUPAC Name: N-methyl-N,4-dinitrobenzenesulfonamide
SYSTEMATIC NAME: N-methyl-N,4-dinitro-benzenesulfonamide
MOLECULAR FORMULA: C7H7N3O6S
MOLECULAR WEIGHT: 261.21198
SMILES: CN([N+](=O)[O-])S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]
Structure:
CAS RN: 16426-64-5
CAS Name: 2-bromo-4-nitrobenzoic acid
OPENEYE Name: 2-bromo-4-nitro-benzoic acid
IUPAC Name: 2-bromo-4-nitrobenzoic acid
SYSTEMATIC NAME: 2-bromanyl-4-nitro-benzoic acid
MOLECULAR FORMULA: C7H4BrNO4
MOLECULAR WEIGHT: 246.01496
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Br)C(=O)O
Structure:
CAS RN: 40182-90-9
CAS Name: 1,1,3,3-tetrakis(methylsulfonyl)propane
OPENEYE Name: 1,1,3,3-tetrakis(methylsulfonyl)propane
IUPAC Name: 1,1,3,3-tetrakis(methylsulfonyl)propane
SYSTEMATIC NAME: 1,1,3,3-tetrakis(methylsulfonyl)propane
MOLECULAR FORMULA: C7H16O8S4
MOLECULAR WEIGHT: 356.45714
SMILES: CS(=O)(=O)C(CC(S(=O)(=O)C)S(=O)(=O)C)S(=O)(=O)C
Structure:
CAS RN: 17075-26-2
CAS Name: 1-methoxy-2-nitrosobenzene
OPENEYE Name: 1-methoxy-2-nitroso-benzene
IUPAC Name: 1-methoxy-2-nitrosobenzene
SYSTEMATIC NAME: 1-methoxy-2-nitroso-benzene
MOLECULAR FORMULA: C7H7NO2
MOLECULAR WEIGHT: 137.13598
SMILES: COC1=CC=CC=C1N=O
Structure:
CAS RN: 556-10-5
CAS Name: (4-nitrophenyl)urea
OPENEYE Name: (4-nitrophenyl)urea
IUPAC Name: (4-nitrophenyl)urea
SYSTEMATIC NAME: 1-(4-nitrophenyl)urea
MOLECULAR FORMULA: C7H7N3O3
MOLECULAR WEIGHT: 181.14878
SMILES: C1=CC(=CC=C1NC(=O)N)[N+](=O)[O-]
Structure:
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