Product OPENEYE NAME: 3-[5-[[4-(2-carboxyethyl)-5-[(E)-(3-ethyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-2-[(E)-(3-ethyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
CAS Name: 3-[5-[[4-(2-carboxyethyl)-5-[(E)-(3-ethyl-4-methyl-5-oxo-2-pyrrolylidene)methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-2-[(E)-(3-ethyl-4-methyl-5-oxo-2-pyrrolylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
IUPAC NAME: 3-[5-[[4-(2-carboxyethyl)-5-[(E)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-2-[(E)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
SYSTEMATIC NAME: 3-[2-[(E)-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-5-[[5-[(E)-(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-(3-hydroxy-3-oxopropyl)-3-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
MOLECULAR FORMULA: C33H40N4O6
MOLECULAR WEIGHT: 588.6939
SMILES: CCC\1=C(C(=O)N/C1=C/C2=C(C(=C(N2)CC3=C(C(=C(N3)/C=C\4/NC(=O)C(=C4CC)C)CCC(=O)O)C)C)CCC(=O)O)C
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Product OPENEYE NAME: 3-[(5E)-5-[[5-[[5-[(E)-[4-(2-carboxyethyl)-3-methyl-5-oxo-pyrrol-2-ylidene]methyl]-3-methyl-4-vinyl-1H-pyrrol-2-yl]methyl]-3-methyl-4-vinyl-1H-pyrrol-2-yl]methylene]-4-methyl-2-oxo-pyrrol-3-yl]propanoic acid
CAS Name: 3-[(5E)-5-[[5-[[5-[(E)-[4-(2-carboxyethyl)-3-methyl-5-oxo-2-pyrrolylidene]methyl]-4-ethenyl-3-methyl-1H-pyrrol-2-yl]methyl]-4-ethenyl-3-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-2-oxo-3-pyrrolyl]propanoic acid
IUPAC NAME: 3-[(5E)-5-[[5-[[5-[(E)-[4-(2-carboxyethyl)-3-methyl-5-oxopyrrol-2-ylidene]methyl]-4-ethenyl-3-methyl-1H-pyrrol-2-yl]methyl]-4-ethenyl-3-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-2-oxopyrrol-3-yl]propanoic acid
SYSTEMATIC NAME: 3-[(5E)-5-[[4-ethenyl-5-[[4-ethenyl-5-[(E)-[4-(3-hydroxy-3-oxopropyl)-3-methyl-5-oxidanylidene-pyrrol-2-ylidene]methyl]-3-methyl-1H-pyrrol-2-yl]methyl]-3-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-2-oxidanylidene-pyrrol-3-yl]propanoic acid
MOLECULAR FORMULA: C33H36N4O6
MOLECULAR WEIGHT: 584.66214
SMILES: CC\1=C(C(=O)N/C1=C/C2=C(C(=C(N2)CC3=C(C(=C(N3)/C=C/4\C(=C(C(=O)N4)CCC(=O)O)C)C=C)C)C=C)C)CCC(=O)O
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CAS Name:
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MOLECULAR FORMULA: C140H110N16+4
MOLECULAR WEIGHT: 2016.4786
SMILES: C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=[N+](C=C8)CCCCCC[N+]9=CC=C(C=C9)C1=C2C=CC(=C(C5=NC(=C(C6=CC=C(N6)C(=C6C=CC1=N6)C1=CC=[N+](C=C1)CCCCCC[N+]1=CC=C(C=C1)C1=C6C=CC(=N6)C(=C6C=CC(=C(C7=NC(=C(C8=CC=C1N8)C1=CC=CC=C1)C
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MOLECULAR FORMULA: C88H62N10+2
MOLECULAR WEIGHT: 1259.50088
SMILES: C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=[N+](C=C8)CC[N+]9=CC=C(C=C9)C1=C2C=CC(=N2)C(=C2C=CC(=C(C5=NC(=C(C6=CC=C1N6)C1=CC=CC=C1)C=C5)C1=CC=CC=C1)N2)C1=CC=CC=C1)C=C4)C1=CC=CC=C1)N3
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MOLECULAR FORMULA: C94H74N10+2
MOLECULAR WEIGHT: 1343.66036
SMILES: C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=[N+](C=C8)CCCCCCCC[N+]9=CC=C(C=C9)C1=C2C=CC(=N2)C(=C2C=CC(=C(C5=NC(=C(C6=CC=C1N6)C1=CC=CC=C1)C=C5)C1=CC=CC=C1)N2)C1=CC=CC=C1)C=C4)C1=CC=CC=C1)N3
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Product OPENEYE NAME: ethyl (Z)-3-(cyclopropylamino)prop-2-enoate
CAS Name: (Z)-3-(cyclopropylamino)-2-propenoic acid ethyl ester
IUPAC NAME: ethyl (Z)-3-(cyclopropylamino)prop-2-enoate
SYSTEMATIC NAME: ethyl (Z)-3-(cyclopropylamino)prop-2-enoate
MOLECULAR FORMULA: C8H13NO2
MOLECULAR WEIGHT: 155.19432
SMILES: CCOC(=O)/C=C\NC1CC1
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Product OPENEYE NAME: (1R,4R)-1,4-bis(3-bromoisoxazol-5-yl)butane-1,4-diol
CAS Name: (1R,4R)-1,4-bis(3-bromo-5-isoxazolyl)butane-1,4-diol
IUPAC NAME: (1R,4R)-1,4-bis(3-bromo-1,2-oxazol-5-yl)butane-1,4-diol
SYSTEMATIC NAME: (1R,4R)-1,4-bis(3-bromanyl-1,2-oxazol-5-yl)butane-1,4-diol
MOLECULAR FORMULA: C10H10Br2N2O4
MOLECULAR WEIGHT: 382.0054
SMILES: C1=C(ON=C1Br)[C@@H](CC[C@H](C2=CC(=NO2)Br)O)O
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Product OPENEYE NAME: 3-bromo-4-[(2S,5S)-5-(3-bromoisoxazol-5-yl)tetrahydrofuran-2-yl]isoxazole
CAS Name: 3-bromo-4-[(2S,5S)-5-(3-bromo-5-isoxazolyl)-2-oxolanyl]isoxazole
IUPAC NAME: 3-bromo-4-[(2S,5S)-5-(3-bromo-1,2-oxazol-5-yl)oxolan-2-yl]-1,2-oxazole
SYSTEMATIC NAME: 3-bromanyl-4-[(2S,5S)-5-(3-bromanyl-1,2-oxazol-5-yl)oxolan-2-yl]-1,2-oxazole
MOLECULAR FORMULA: C10H8Br2N2O3
MOLECULAR WEIGHT: 363.99012
SMILES: C1C[C@H](O[C@@H]1C2=CC(=NO2)Br)C3=CON=C3Br
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Product OPENEYE NAME: 3-bromo-4-[(2R,5S)-5-(3-bromoisoxazol-5-yl)tetrahydrofuran-2-yl]isoxazole
CAS Name: 3-bromo-4-[(2R,5S)-5-(3-bromo-5-isoxazolyl)-2-oxolanyl]isoxazole
IUPAC NAME: 3-bromo-4-[(2R,5S)-5-(3-bromo-1,2-oxazol-5-yl)oxolan-2-yl]-1,2-oxazole
SYSTEMATIC NAME: 3-bromanyl-4-[(2R,5S)-5-(3-bromanyl-1,2-oxazol-5-yl)oxolan-2-yl]-1,2-oxazole
MOLECULAR FORMULA: C10H8Br2N2O3
MOLECULAR WEIGHT: 363.99012
SMILES: C1C[C@@H](O[C@@H]1C2=CC(=NO2)Br)C3=CON=C3Br
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Product OPENEYE NAME: ethyl 2-[(4Z)-4-[(2-acetylphenyl)azomethylene]-1,2,3-benzotriazin-3-yl]acetate
CAS Name: 2-[(4Z)-4-[(2-acetylphenyl)azomethylidene]-1,2,3-benzotriazin-3-yl]acetic acid ethyl ester
IUPAC NAME: ethyl 2-[(4Z)-4-[[(2-acetylphenyl)diazenyl]methylidene]-1,2,3-benzotriazin-3-yl]acetate
SYSTEMATIC NAME: ethyl 2-[(4Z)-4-[[(2-ethanoylphenyl)diazenyl]methylidene]-1,2,3-benzotriazin-3-yl]ethanoate
MOLECULAR FORMULA: C20H19N5O3
MOLECULAR WEIGHT: 377.39656
SMILES: CCOC(=O)CN1/C(=C\N=NC2=CC=CC=C2C(=O)C)/C3=CC=CC=C3N=N1
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Product OPENEYE NAME: methyl (2Z)-2-nitroso-2-(1H-quinolin-2-ylidene)acetate
CAS Name: (2Z)-2-nitroso-2-(1H-quinolin-2-ylidene)acetic acid methyl ester
IUPAC NAME: methyl (2Z)-2-nitroso-2-(1H-quinolin-2-ylidene)acetate
SYSTEMATIC NAME: methyl (2Z)-2-nitroso-2-(1H-quinolin-2-ylidene)ethanoate
MOLECULAR FORMULA: C12H10N2O3
MOLECULAR WEIGHT: 230.2194
SMILES: COC(=O)/C(=C/1\C=CC2=CC=CC=C2N1)/N=O
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Product OPENEYE NAME: (2Z)-2-nitroso-2-(1H-quinolin-2-ylidene)acetic acid
CAS Name: (2Z)-2-nitroso-2-(1H-quinolin-2-ylidene)acetic acid
IUPAC NAME: (2Z)-2-nitroso-2-(1H-quinolin-2-ylidene)acetic acid
SYSTEMATIC NAME: (2Z)-2-nitroso-2-(1H-quinolin-2-ylidene)ethanoic acid
MOLECULAR FORMULA: C11H8N2O3
MOLECULAR WEIGHT: 216.19282
SMILES: C1=CC=C2C(=C1)C=C/C(=C(\C(=O)O)/N=O)/N2
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Product OPENEYE NAME: (2Z)-2-nitroso-2-(1H-quinolin-2-ylidene)acetohydrazide
CAS Name: (2Z)-2-nitroso-2-(1H-quinolin-2-ylidene)acetohydrazide
IUPAC NAME: (2Z)-2-nitroso-2-(1H-quinolin-2-ylidene)acetohydrazide
SYSTEMATIC NAME: (2Z)-2-nitroso-2-(1H-quinolin-2-ylidene)ethanehydrazide
MOLECULAR FORMULA: C11H10N4O2
MOLECULAR WEIGHT: 230.2227
SMILES: C1=CC=C2C(=C1)C=C/C(=C(\C(=O)NN)/N=O)/N2
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Product OPENEYE NAME: N-(2-azidoacetyl)-3-oxo-butanamide
CAS Name: N-(2-azido-1-oxoethyl)-3-oxobutanamide
IUPAC NAME: N-(2-azidoacetyl)-3-oxobutanamide
SYSTEMATIC NAME: N-(2-azidoethanoyl)-3-oxidanylidene-butanamide
MOLECULAR FORMULA: C6H8N4O3
MOLECULAR WEIGHT: 184.15272
SMILES: CC(=O)CC(=O)NC(=O)CN=[N+]=[N-]
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