Product OPENEYE NAME: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(5-oxothiomorpholine-3-carbonyl)pyrrolidin-1-ium-2-carboxamide
CAS Name: 1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-1-[oxo-(5-oxo-3-thiomorpholinyl)methyl]-2-pyrrolidin-1-iumcarboxamide
IUPAC NAME: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(5-oxothiomorpholine-3-carbonyl)pyrrolidin-1-ium-2-carboxamide
SYSTEMATIC NAME: 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-(5-oxidanylidenethiomorpholin-3-yl)carbonyl-pyrrolidin-1-ium-2-carboxamide
MOLECULAR FORMULA: C16H23N6O4S+
MOLECULAR WEIGHT: 395.45662
SMILES: C1CC([N+](C1)(C(=O)C2CSCC(=O)N2)C(=O)C(CC3=CN=CN3)N)C(=O)N
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Product OPENEYE NAME: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(6-oxopiperidine-2-carbonyl)pyrrolidin-1-ium-2-carboxamide
CAS Name: 1-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-1-[oxo-(6-oxo-2-piperidinyl)methyl]-2-pyrrolidin-1-iumcarboxamide
IUPAC NAME: 1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-1-(6-oxopiperidine-2-carbonyl)pyrrolidin-1-ium-2-carboxamide
SYSTEMATIC NAME: 1-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-1-(6-oxidanylidenepiperidin-2-yl)carbonyl-pyrrolidin-1-ium-2-carboxamide
MOLECULAR FORMULA: C17H25N6O4+
MOLECULAR WEIGHT: 377.4182
SMILES: C1CC(NC(=O)C1)C(=O)[N+]2(CCCC2C(=O)N)C(=O)C(CC3=CN=CN3)N
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Product OPENEYE NAME: 2-(decanoylamino)-3-methyl-pentanoic acid
CAS Name: 3-methyl-2-(1-oxodecylamino)pentanoic acid
IUPAC NAME: 2-(decanoylamino)-3-methylpentanoic acid
SYSTEMATIC NAME: 2-(decanoylamino)-3-methyl-pentanoic acid
MOLECULAR FORMULA: C16H31NO3
MOLECULAR WEIGHT: 285.42224
SMILES: CCCCCCCCCC(=O)NC(C(C)CC)C(=O)O
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Product OPENEYE NAME: 2-(1-nitrooctyl)phenol
CAS Name: 2-(1-nitrooctyl)phenol
IUPAC NAME: 2-(1-nitrooctyl)phenol
SYSTEMATIC NAME: 2-(1-nitrooctyl)phenol
MOLECULAR FORMULA: C14H21NO3
MOLECULAR WEIGHT: 251.32144
SMILES: CCCCCCCC(C1=CC=CC=C1O)[N+](=O)[O-]
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Product OPENEYE NAME: (Z)-2-[2-(1-methylheptyl)-4,6-dinitro-phenyl]but-2-enoate
CAS Name: (Z)-2-(2,4-dinitro-6-octan-2-ylphenyl)-2-butenoate
IUPAC NAME: (Z)-2-(2,4-dinitro-6-octan-2-ylphenyl)but-2-enoate
SYSTEMATIC NAME: (Z)-2-(2,4-dinitro-6-octan-2-yl-phenyl)but-2-enoate
MOLECULAR FORMULA: C18H23N2O6-
MOLECULAR WEIGHT: 363.38502
SMILES: CCCCCCC(C)C1=CC(=CC(=C1/C(=C/C)/C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: (Z)-2-[2-(1-methylheptyl)-4,6-dinitro-phenyl]but-2-enoic acid
CAS Name: (Z)-2-(2,4-dinitro-6-octan-2-ylphenyl)-2-butenoic acid
IUPAC NAME: (Z)-2-(2,4-dinitro-6-octan-2-ylphenyl)but-2-enoic acid
SYSTEMATIC NAME: (Z)-2-(2,4-dinitro-6-octan-2-yl-phenyl)but-2-enoic acid
MOLECULAR FORMULA: C18H24N2O6
MOLECULAR WEIGHT: 364.39296
SMILES: CCCCCCC(C)C1=CC(=CC(=C1/C(=C/C)/C(=O)O)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: (Z)-2-(2,6-dinitrophenyl)-5-propyl-non-2-enoate
CAS Name: (Z)-2-(2,6-dinitrophenyl)-5-propyl-2-nonenoate
IUPAC NAME: (Z)-2-(2,6-dinitrophenyl)-5-propylnon-2-enoate
SYSTEMATIC NAME: (Z)-2-(2,6-dinitrophenyl)-5-propyl-non-2-enoate
MOLECULAR FORMULA: C18H23N2O6-
MOLECULAR WEIGHT: 363.38502
SMILES: CCCCC(CCC)C/C=C(/C1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-])\C(=O)[O-]
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Product OPENEYE NAME: (Z)-2-(2,6-dinitrophenyl)-5-propyl-non-2-enoic acid
CAS Name: (Z)-2-(2,6-dinitrophenyl)-5-propyl-2-nonenoic acid
IUPAC NAME: (Z)-2-(2,6-dinitrophenyl)-5-propylnon-2-enoic acid
SYSTEMATIC NAME: (Z)-2-(2,6-dinitrophenyl)-5-propyl-non-2-enoic acid
MOLECULAR FORMULA: C18H24N2O6
MOLECULAR WEIGHT: 364.39296
SMILES: CCCCC(CCC)C/C=C(/C1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-])\C(=O)O
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Product OPENEYE NAME: (Z)-2-[4-(1-ethylhexyl)-2,6-dinitro-phenyl]but-2-enoate
CAS Name: (Z)-2-(2,6-dinitro-4-octan-3-ylphenyl)-2-butenoate
IUPAC NAME: (Z)-2-(2,6-dinitro-4-octan-3-ylphenyl)but-2-enoate
SYSTEMATIC NAME: (Z)-2-(2,6-dinitro-4-octan-3-yl-phenyl)but-2-enoate
MOLECULAR FORMULA: C18H23N2O6-
MOLECULAR WEIGHT: 363.38502
SMILES: CCCCCC(CC)C1=CC(=C(C(=C1)[N+](=O)[O-])/C(=C/C)/C(=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: (Z)-2-[4-(1-ethylhexyl)-2,6-dinitro-phenyl]but-2-enoic acid
CAS Name: (Z)-2-(2,6-dinitro-4-octan-3-ylphenyl)-2-butenoic acid
IUPAC NAME: (Z)-2-(2,6-dinitro-4-octan-3-ylphenyl)but-2-enoic acid
SYSTEMATIC NAME: (Z)-2-(2,6-dinitro-4-octan-3-yl-phenyl)but-2-enoic acid
MOLECULAR FORMULA: C18H24N2O6
MOLECULAR WEIGHT: 364.39296
SMILES: CCCCCC(CC)C1=CC(=C(C(=C1)[N+](=O)[O-])/C(=C/C)/C(=O)O)[N+](=O)[O-]
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Product OPENEYE NAME: (Z)-2-[2-(1-ethylhexyl)-4,6-dinitro-phenyl]but-2-enoate
CAS Name: (Z)-2-(2,4-dinitro-6-octan-3-ylphenyl)-2-butenoate
IUPAC NAME: (Z)-2-(2,4-dinitro-6-octan-3-ylphenyl)but-2-enoate
SYSTEMATIC NAME: (Z)-2-(2,4-dinitro-6-octan-3-yl-phenyl)but-2-enoate
MOLECULAR FORMULA: C18H23N2O6-
MOLECULAR WEIGHT: 363.38502
SMILES: CCCCCC(CC)C1=CC(=CC(=C1/C(=C/C)/C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: (Z)-2-[2-(1-ethylhexyl)-4,6-dinitro-phenyl]but-2-enoic acid
CAS Name: (Z)-2-(2,4-dinitro-6-octan-3-ylphenyl)-2-butenoic acid
IUPAC NAME: (Z)-2-(2,4-dinitro-6-octan-3-ylphenyl)but-2-enoic acid
SYSTEMATIC NAME: (Z)-2-(2,4-dinitro-6-octan-3-yl-phenyl)but-2-enoic acid
MOLECULAR FORMULA: C18H24N2O6
MOLECULAR WEIGHT: 364.39296
SMILES: CCCCCC(CC)C1=CC(=CC(=C1/C(=C/C)/C(=O)O)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: (Z)-2-[2,4-dinitro-6-(1-propylpentyl)phenyl]but-2-enoate
CAS Name: (Z)-2-(2,4-dinitro-6-octan-4-ylphenyl)-2-butenoate
IUPAC NAME: (Z)-2-(2,4-dinitro-6-octan-4-ylphenyl)but-2-enoate
SYSTEMATIC NAME: (Z)-2-(2,4-dinitro-6-octan-4-yl-phenyl)but-2-enoate
MOLECULAR FORMULA: C18H23N2O6-
MOLECULAR WEIGHT: 363.38502
SMILES: CCCCC(CCC)C1=CC(=CC(=C1/C(=C/C)/C(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: (Z)-2-[2,4-dinitro-6-(1-propylpentyl)phenyl]but-2-enoic acid
CAS Name: (Z)-2-(2,4-dinitro-6-octan-4-ylphenyl)-2-butenoic acid
IUPAC NAME: (Z)-2-(2,4-dinitro-6-octan-4-ylphenyl)but-2-enoic acid
SYSTEMATIC NAME: (Z)-2-(2,4-dinitro-6-octan-4-yl-phenyl)but-2-enoic acid
MOLECULAR FORMULA: C18H24N2O6
MOLECULAR WEIGHT: 364.39296
SMILES: CCCCC(CCC)C1=CC(=CC(=C1/C(=C/C)/C(=O)O)[N+](=O)[O-])[N+](=O)[O-]
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Product OPENEYE NAME: 6-chloro-3-morpholino-5-propylsulfanyl-pyrazine-2-carbonitrile
CAS Name: 6-chloro-3-(4-morpholinyl)-5-(propylthio)-2-pyrazinecarbonitrile
IUPAC NAME: 6-chloro-3-morpholin-4-yl-5-propylsulfanylpyrazine-2-carbonitrile
SYSTEMATIC NAME: 6-chloranyl-3-morpholin-4-yl-5-propylsulfanyl-pyrazine-2-carbonitrile
MOLECULAR FORMULA: C12H15ClN4OS
MOLECULAR WEIGHT: 298.7917
SMILES: CCCSC1=NC(=C(N=C1Cl)C#N)N2CCOCC2
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Product OPENEYE NAME: 5,6-dichloro-3-(1-methylpiperazin-1-ium-1-yl)pyrazine-2-carbonitrile
CAS Name: 5,6-dichloro-3-(1-methyl-1-piperazin-1-iumyl)-2-pyrazinecarbonitrile
IUPAC NAME: 5,6-dichloro-3-(1-methylpiperazin-1-ium-1-yl)pyrazine-2-carbonitrile
SYSTEMATIC NAME: 5,6-bis(chloranyl)-3-(1-methylpiperazin-1-ium-1-yl)pyrazine-2-carbonitrile
MOLECULAR FORMULA: C10H12Cl2N5+
MOLECULAR WEIGHT: 273.14178
SMILES: C[N+]1(CCNCC1)C2=C(N=C(C(=N2)Cl)Cl)C#N
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Product OPENEYE NAME: 3-(1-methylpiperazin-1-ium-1-yl)pyrazine-2-carbonitrile
CAS Name: 3-(1-methyl-1-piperazin-1-iumyl)-2-pyrazinecarbonitrile
IUPAC NAME: 3-(1-methylpiperazin-1-ium-1-yl)pyrazine-2-carbonitrile
SYSTEMATIC NAME: 3-(1-methylpiperazin-1-ium-1-yl)pyrazine-2-carbonitrile
MOLECULAR FORMULA: C10H14N5+
MOLECULAR WEIGHT: 204.25166
SMILES: C[N+]1(CCNCC1)C2=NC=CN=C2C#N
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Product OPENEYE NAME: 3,6-dichloro-5-(1-methylpiperazin-1-ium-1-yl)pyrazine-2-carbonitrile
CAS Name: 3,6-dichloro-5-(1-methyl-1-piperazin-1-iumyl)-2-pyrazinecarbonitrile
IUPAC NAME: 3,6-dichloro-5-(1-methylpiperazin-1-ium-1-yl)pyrazine-2-carbonitrile
SYSTEMATIC NAME: 3,6-bis(chloranyl)-5-(1-methylpiperazin-1-ium-1-yl)pyrazine-2-carbonitrile
MOLECULAR FORMULA: C10H12Cl2N5+
MOLECULAR WEIGHT: 273.14178
SMILES: C[N+]1(CCNCC1)C2=NC(=C(N=C2Cl)C#N)Cl
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