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MOLECULAR FORMULA: C34H28N6O2-2
MOLECULAR WEIGHT: 552.62512
SMILES: CC1=NC2=CC=CC=C2N=C(C(=C(C3=CC=NC=C3)[O-])C(=NC4=CC=CC=C4N=C(C1=C(C5=CC=NC=C5)[O-])C)C)C
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MOLECULAR FORMULA: C34H30N6O2
MOLECULAR WEIGHT: 554.641
SMILES: CC1=C(C(=NC2=CC=CC=C2NC(=C(C(=NC3=CC=CC=C3N1)C)C(=O)C4=CC=NC=C4)C)C)C(=O)C5=CC=NC=C5
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Product OPENEYE NAME:
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MOLECULAR FORMULA: C34H28N6O2-2
MOLECULAR WEIGHT: 552.62512
SMILES: CC1=NC2=CC=CC=C2N=C(C(=C(C3=CN=CC=C3)[O-])C(=NC4=CC=CC=C4N=C(C1=C(C5=CN=CC=C5)[O-])C)C)C
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MOLECULAR FORMULA: C34H30N6O2
MOLECULAR WEIGHT: 554.641
SMILES: CC1=C(C(=NC2=CC=CC=C2NC(=C(C(=NC3=CC=CC=C3N1)C)C(=O)C4=CN=CC=C4)C)C)C(=O)C5=CN=CC=C5
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MOLECULAR FORMULA: C34H30N6O2
MOLECULAR WEIGHT: 554.641
SMILES: C/C/1=C(/C(=NC2=CC=CC=C2N/C(=C(\C(=NC3=CC=CC=C3N1)C)/C(=O)C4=CC=NC=C4)/C)C)\C(=O)C5=CC=NC=C5
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MOLECULAR FORMULA: C34H30N6O2
MOLECULAR WEIGHT: 554.641
SMILES: C/C/1=C(/C(=NC2=CC=CC=C2N/C(=C(\C(=NC3=CC=CC=C3N1)C)/C(=O)C4=CN=CC=C4)/C)C)\C(=O)C5=CN=CC=C5
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Product OPENEYE NAME: methyl (3R)-3-(5-bromo-4-methyl-6-oxo-pyran-2-yl)-2-phenyl-isoxazolidine-4-carboxylate
CAS Name: (3R)-3-(5-bromo-4-methyl-6-oxo-2-pyranyl)-2-phenyl-4-isoxazolidinecarboxylic acid methyl ester
IUPAC NAME: methyl (3R)-3-(5-bromo-4-methyl-6-oxopyran-2-yl)-2-phenyl-1,2-oxazolidine-4-carboxylate
SYSTEMATIC NAME: methyl (3R)-3-(5-bromanyl-4-methyl-6-oxidanylidene-pyran-2-yl)-2-phenyl-1,2-oxazolidine-4-carboxylate
MOLECULAR FORMULA: C17H16BrNO5
MOLECULAR WEIGHT: 394.21664
SMILES: CC1=C(C(=O)OC(=C1)[C@H]2C(CON2C3=CC=CC=C3)C(=O)OC)Br
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Product OPENEYE NAME: (5-bromo-4-methyl-6-oxo-pyran-2-yl)methyl-triphenyl-phosphonium
CAS Name: (5-bromo-4-methyl-6-oxo-2-pyranyl)methyl-triphenylphosphonium
IUPAC NAME: (5-bromo-4-methyl-6-oxopyran-2-yl)methyl-triphenylphosphanium
SYSTEMATIC NAME: (5-bromanyl-4-methyl-6-oxidanylidene-pyran-2-yl)methyl-triphenyl-phosphanium
MOLECULAR FORMULA: C25H21BrO2P+
MOLECULAR WEIGHT: 464.310801
SMILES: CC1=C(C(=O)OC(=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)Br
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Product OPENEYE NAME: (1Z)-1-(2-oxido-1-isoquinolylidene)isoquinolin-2-ium 2-oxide
CAS Name: (1Z)-1-(2-oxido-1-isoquinolinylidene)isoquinolin-2-ium 2-oxide
IUPAC NAME: (1Z)-1-(2-oxidoisoquinolin-1-ylidene)isoquinolin-2-ium 2-oxide
SYSTEMATIC NAME: (1Z)-1-(2-oxidanidylisoquinolin-1-ylidene)isoquinolin-2-ium 2-oxide
MOLECULAR FORMULA: C18H12N2O2
MOLECULAR WEIGHT: 288.30008
SMILES: C1=CC=C\2C(=C1)C=CN(/C2=C\3/C4=CC=CC=C4C=C[N+]3=O)[O-]
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Product OPENEYE NAME: 3-[(E)-2-chloro-2-phenyl-vinyl]-3-hydroxy-2-methyl-isoindolin-1-one
CAS Name: 3-[(E)-2-chloro-2-phenylethenyl]-3-hydroxy-2-methyl-1-isoindolone
IUPAC NAME: 3-[(E)-2-chloro-2-phenylethenyl]-3-hydroxy-2-methylisoindol-1-one
SYSTEMATIC NAME: 3-[(E)-2-chloranyl-2-phenyl-ethenyl]-2-methyl-3-oxidanyl-isoindol-1-one
MOLECULAR FORMULA: C17H14ClNO2
MOLECULAR WEIGHT: 299.75156
SMILES: CN1C(=O)C2=CC=CC=C2C1(/C=C(\C3=CC=CC=C3)/Cl)O
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Product OPENEYE NAME: 3-[(E)-2-(4-bromophenyl)-2-chloro-vinyl]-3-hydroxy-2-methyl-isoindolin-1-one
CAS Name: 3-[(E)-2-(4-bromophenyl)-2-chloroethenyl]-3-hydroxy-2-methyl-1-isoindolone
IUPAC NAME: 3-[(E)-2-(4-bromophenyl)-2-chloroethenyl]-3-hydroxy-2-methylisoindol-1-one
SYSTEMATIC NAME: 3-[(E)-2-(4-bromophenyl)-2-chloranyl-ethenyl]-2-methyl-3-oxidanyl-isoindol-1-one
MOLECULAR FORMULA: C17H13BrClNO2
MOLECULAR WEIGHT: 378.64762
SMILES: CN1C(=O)C2=CC=CC=C2C1(/C=C(\C3=CC=C(C=C3)Br)/Cl)O
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