Saturday, October 29, 2011

All Chemical Compounds Information




Product OPENEYE NAME: [(E)-1-amino-2-nitro-vinyl]-[(6-bromo-3-pyridyl)methyl]-(chloromethyl)-methyl-ammonium
CAS Name: [(E)-1-amino-2-nitroethenyl]-[(6-bromo-3-pyridinyl)methyl]-(chloromethyl)-methylammonium
IUPAC NAME: [(E)-1-amino-2-nitroethenyl]-[(6-bromopyridin-3-yl)methyl]-(chloromethyl)-methylazanium
SYSTEMATIC NAME: [(E)-1-azanyl-2-nitro-ethenyl]-[(6-bromanylpyridin-3-yl)methyl]-(chloromethyl)-methyl-azanium
MOLECULAR FORMULA: C10H13BrClN4O2+
MOLECULAR WEIGHT: 336.59282
SMILES: C[N+](CC1=CN=C(C=C1)Br)(CCl)/C(=C/[N+](=O)[O-])/N
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Product OPENEYE NAME: [(E)-1-amino-2-nitro-vinyl]-(6-methoxy-3-pyridyl)-dimethyl-ammonium
CAS Name: [(E)-1-amino-2-nitroethenyl]-(6-methoxy-3-pyridinyl)-dimethylammonium
IUPAC NAME: [(E)-1-amino-2-nitroethenyl]-(6-methoxypyridin-3-yl)-dimethylazanium
SYSTEMATIC NAME: [(E)-1-azanyl-2-nitro-ethenyl]-(6-methoxypyridin-3-yl)-dimethyl-azanium
MOLECULAR FORMULA: C10H15N4O3+
MOLECULAR WEIGHT: 239.2511
SMILES: C[N+](C)(C1=CN=C(C=C1)OC)/C(=C/[N+](=O)[O-])/N
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Product OPENEYE NAME: [(E)-1-amino-2-nitro-vinyl]-[(2-bromothiazol-5-yl)methyl]-ethyl-methyl-ammonium
CAS Name: [(E)-1-amino-2-nitroethenyl]-[(2-bromo-5-thiazolyl)methyl]-ethyl-methylammonium
IUPAC NAME: [(E)-1-amino-2-nitroethenyl]-[(2-bromo-1,3-thiazol-5-yl)methyl]-ethyl-methylazanium
SYSTEMATIC NAME: [(E)-1-azanyl-2-nitro-ethenyl]-[(2-bromanyl-1,3-thiazol-5-yl)methyl]-ethyl-methyl-azanium
MOLECULAR FORMULA: C9H14BrN4O2S+
MOLECULAR WEIGHT: 322.20206
SMILES: CC[N+](C)(CC1=CN=C(S1)Br)/C(=C/[N+](=O)[O-])/N
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Product OPENEYE NAME: N-[2-(2-chlorothiazol-5-yl)ethyl]-N-[methyl-[(E)-2-nitrovinyl]amino]formamide
CAS Name: N-[2-(2-chloro-5-thiazolyl)ethyl]-N-[methyl-[(E)-2-nitroethenyl]amino]formamide
IUPAC NAME: N-[2-(2-chloro-1,3-thiazol-5-yl)ethyl]-N-[methyl-[(E)-2-nitroethenyl]amino]formamide
SYSTEMATIC NAME: N-[2-(2-chloranyl-1,3-thiazol-5-yl)ethyl]-N-[methyl-[(E)-2-nitroethenyl]amino]methanamide
MOLECULAR FORMULA: C9H11ClN4O3S
MOLECULAR WEIGHT: 290.72664
SMILES: CN(/C=C/[N+](=O)[O-])N(CCC1=CN=C(S1)Cl)C=O
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Product OPENEYE NAME: N-[(6-chloro-3-pyridyl)methyl]propan-1-amine; (E)-1-methylsulfanyl-2-nitro-ethylene
CAS Name: N-[(6-chloro-3-pyridinyl)methyl]-1-propanamine; (E)-1-(methylthio)-2-nitroethene
IUPAC NAME: N-[(6-chloropyridin-3-yl)methyl]propan-1-amine; (E)-1-methylsulfanyl-2-nitroethene
SYSTEMATIC NAME: N-[(6-chloranylpyridin-3-yl)methyl]propan-1-amine; (E)-1-methylsulfanyl-2-nitro-ethene
MOLECULAR FORMULA: C12H18ClN3O2S
MOLECULAR WEIGHT: 303.80822
SMILES: CCCNCC1=CN=C(C=C1)Cl.CS/C=C/[N+](=O)[O-]
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Product OPENEYE NAME: (E)-1-methylsulfanyl-2-nitro-ethylene
CAS Name: (E)-1-(methylthio)-2-nitroethene
IUPAC NAME: (E)-1-methylsulfanyl-2-nitroethene
SYSTEMATIC NAME: (E)-1-methylsulfanyl-2-nitro-ethene
MOLECULAR FORMULA: C3H5NO2S
MOLECULAR WEIGHT: 119.1423
SMILES: CS/C=C/[N+](=O)[O-]
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Product OPENEYE NAME: N-[(6-chloro-3-pyridyl)methyl]propan-1-amine
CAS Name: N-[(6-chloro-3-pyridinyl)methyl]-1-propanamine
IUPAC NAME: N-[(6-chloropyridin-3-yl)methyl]propan-1-amine
SYSTEMATIC NAME: N-[(6-chloranylpyridin-3-yl)methyl]propan-1-amine
MOLECULAR FORMULA: C9H13ClN2
MOLECULAR WEIGHT: 184.66592
SMILES: CCCNCC1=CN=C(C=C1)Cl
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Product OPENEYE NAME: (6-fluoro-3-pyridyl)methyl-[(E)-1-formamido-2-nitro-vinyl]-formyl-methyl-ammonium
CAS Name: (6-fluoro-3-pyridinyl)methyl-[(E)-1-formamido-2-nitroethenyl]-formyl-methylammonium
IUPAC NAME: (6-fluoropyridin-3-yl)methyl-[(E)-1-formamido-2-nitroethenyl]-formyl-methylazanium
SYSTEMATIC NAME: (6-fluoranylpyridin-3-yl)methyl-[(E)-1-formamido-2-nitro-ethenyl]-methanoyl-methyl-azanium
MOLECULAR FORMULA: C11H12FN4O4+
MOLECULAR WEIGHT: 283.235783
SMILES: C[N+](CC1=CN=C(C=C1)F)(C=O)/C(=C/[N+](=O)[O-])/NC=O
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Product OPENEYE NAME: [(E)-1-amino-2-nitro-vinyl]-[(6-fluoro-3-pyridyl)methyl]-formyl-methyl-ammonium
CAS Name: [(E)-1-amino-2-nitroethenyl]-[(6-fluoro-3-pyridinyl)methyl]-formyl-methylammonium
IUPAC NAME: [(E)-1-amino-2-nitroethenyl]-[(6-fluoropyridin-3-yl)methyl]-formyl-methylazanium
SYSTEMATIC NAME: [(E)-1-azanyl-2-nitro-ethenyl]-[(6-fluoranylpyridin-3-yl)methyl]-methanoyl-methyl-azanium
MOLECULAR FORMULA: C10H12FN4O3+
MOLECULAR WEIGHT: 255.225683
SMILES: C[N+](CC1=CN=C(C=C1)F)(C=O)/C(=C/[N+](=O)[O-])/N
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Product OPENEYE NAME: [(E)-1-amino-2-nitro-vinyl]-[(2-chlorothiazol-5-yl)methyl]-dimethyl-ammonium
CAS Name: [(E)-1-amino-2-nitroethenyl]-[(2-chloro-5-thiazolyl)methyl]-dimethylammonium
IUPAC NAME: [(E)-1-amino-2-nitroethenyl]-[(2-chloro-1,3-thiazol-5-yl)methyl]-dimethylazanium
SYSTEMATIC NAME: [(E)-1-azanyl-2-nitro-ethenyl]-[(2-chloranyl-1,3-thiazol-5-yl)methyl]-dimethyl-azanium
MOLECULAR FORMULA: C8H12ClN4O2S+
MOLECULAR WEIGHT: 263.72448
SMILES: C[N+](C)(CC1=CN=C(S1)Cl)/C(=C/[N+](=O)[O-])/N
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Product OPENEYE NAME: (2-bromothiazol-5-yl)methyl-[(E)-1-formamido-2-nitro-vinyl]-dimethyl-ammonium
CAS Name: (2-bromo-5-thiazolyl)methyl-[(E)-1-formamido-2-nitroethenyl]-dimethylammonium
IUPAC NAME: (2-bromo-1,3-thiazol-5-yl)methyl-[(E)-1-formamido-2-nitroethenyl]-dimethylazanium
SYSTEMATIC NAME: (2-bromanyl-1,3-thiazol-5-yl)methyl-[(E)-1-formamido-2-nitro-ethenyl]-dimethyl-azanium
MOLECULAR FORMULA: C9H12BrN4O3S+
MOLECULAR WEIGHT: 336.18558
SMILES: C[N+](C)(CC1=CN=C(S1)Br)/C(=C/[N+](=O)[O-])/NC=O
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Product OPENEYE NAME: (6-chloro-3-pyridyl)-methyl-[(E)-2-nitrovinyl]-(propylamino)ammonium
CAS Name: (6-chloro-3-pyridinyl)-methyl-[(E)-2-nitroethenyl]-(propylamino)ammonium
IUPAC NAME: (6-chloropyridin-3-yl)-methyl-[(E)-2-nitroethenyl]-(propylamino)azanium
SYSTEMATIC NAME: (6-chloranylpyridin-3-yl)-methyl-[(E)-2-nitroethenyl]-(propylamino)azanium
MOLECULAR FORMULA: C11H16ClN4O2+
MOLECULAR WEIGHT: 271.72334
SMILES: CCCN[N+](C)(/C=C/[N+](=O)[O-])C1=CN=C(C=C1)Cl
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Product OPENEYE NAME: 1,2,3-trimethyl-1-[2-(3-pyridyl)ethyl]isothiourea
CAS Name: N,N'-dimethyl-N-[2-(3-pyridinyl)ethyl]carbamimidothioic acid methyl ester
IUPAC NAME: methyl N,N'-dimethyl-N-(2-pyridin-3-ylethyl)carbamimidothioate
SYSTEMATIC NAME: methyl N,N'-dimethyl-N-(2-pyridin-3-ylethyl)carbamimidothioate
MOLECULAR FORMULA: C11H17N3S
MOLECULAR WEIGHT: 223.33778
SMILES: CN=C(N(C)CCC1=CN=CC=C1)SC
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Product OPENEYE NAME: [(E)-1-amino-2-nitro-vinyl]-[(6-bromo-3-pyridyl)methyl]-formyl-methyl-ammonium
CAS Name: [(E)-1-amino-2-nitroethenyl]-[(6-bromo-3-pyridinyl)methyl]-formyl-methylammonium
IUPAC NAME: [(E)-1-amino-2-nitroethenyl]-[(6-bromopyridin-3-yl)methyl]-formyl-methylazanium
SYSTEMATIC NAME: [(E)-1-azanyl-2-nitro-ethenyl]-[(6-bromanylpyridin-3-yl)methyl]-methanoyl-methyl-azanium
MOLECULAR FORMULA: C10H12BrN4O3+
MOLECULAR WEIGHT: 316.13128
SMILES: C[N+](CC1=CN=C(C=C1)Br)(C=O)/C(=C/[N+](=O)[O-])/N
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Product OPENEYE NAME: (2-bromothiazol-5-yl)methyl-[(E)-1-formamido-2-nitro-vinyl]-formyl-methyl-ammonium
CAS Name: (2-bromo-5-thiazolyl)methyl-[(E)-1-formamido-2-nitroethenyl]-formyl-methylammonium
IUPAC NAME: (2-bromo-1,3-thiazol-5-yl)methyl-[(E)-1-formamido-2-nitroethenyl]-formyl-methylazanium
SYSTEMATIC NAME: (2-bromanyl-1,3-thiazol-5-yl)methyl-[(E)-1-formamido-2-nitro-ethenyl]-methanoyl-methyl-azanium
MOLECULAR FORMULA: C9H10BrN4O4S+
MOLECULAR WEIGHT: 350.1691
SMILES: C[N+](CC1=CN=C(S1)Br)(C=O)/C(=C/[N+](=O)[O-])/NC=O
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Product OPENEYE NAME: [(E)-1-amino-2-nitro-vinyl]-(6-chloro-3-pyridyl)-diethyl-ammonium
CAS Name: [(E)-1-amino-2-nitroethenyl]-(6-chloro-3-pyridinyl)-diethylammonium
IUPAC NAME: [(E)-1-amino-2-nitroethenyl]-(6-chloropyridin-3-yl)-diethylazanium
SYSTEMATIC NAME: [(E)-1-azanyl-2-nitro-ethenyl]-(6-chloranylpyridin-3-yl)-diethyl-azanium
MOLECULAR FORMULA: C11H16ClN4O2+
MOLECULAR WEIGHT: 271.72334
SMILES: CC[N+](CC)(C1=CN=C(C=C1)Cl)/C(=C/[N+](=O)[O-])/N
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Product OPENEYE NAME: 1,2-dimethyl-1-[(E)-2-nitrovinyl]-2-(3-pyridylmethyl)hydrazine
CAS Name: 1,2-dimethyl-1-[(E)-2-nitroethenyl]-2-(3-pyridinylmethyl)hydrazine
IUPAC NAME: 1,2-dimethyl-1-[(E)-2-nitroethenyl]-2-(pyridin-3-ylmethyl)hydrazine
SYSTEMATIC NAME: 1,2-dimethyl-1-[(E)-2-nitroethenyl]-2-(pyridin-3-ylmethyl)diazane
MOLECULAR FORMULA: C10H14N4O2
MOLECULAR WEIGHT: 222.24376
SMILES: CN(CC1=CN=CC=C1)N(C)/C=C/[N+](=O)[O-]
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Product OPENEYE NAME: [(E)-1-amino-2-nitro-vinyl]-[(2-chloro-3-pyridyl)methyl]-dimethyl-ammonium
CAS Name: [(E)-1-amino-2-nitroethenyl]-[(2-chloro-3-pyridinyl)methyl]-dimethylammonium
IUPAC NAME: [(E)-1-amino-2-nitroethenyl]-[(2-chloropyridin-3-yl)methyl]-dimethylazanium
SYSTEMATIC NAME: [(E)-1-azanyl-2-nitro-ethenyl]-[(2-chloranylpyridin-3-yl)methyl]-dimethyl-azanium
MOLECULAR FORMULA: C10H14ClN4O2+
MOLECULAR WEIGHT: 257.69676
SMILES: C[N+](C)(CC1=C(N=CC=C1)Cl)/C(=C/[N+](=O)[O-])/N
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