Product OPENEYE NAME: N-methyl-1-(4-nitro-2-furyl)methanimine oxide
CAS Name: N-methyl-1-(4-nitro-2-furanyl)methanimine oxide
IUPAC NAME: N-methyl-1-(4-nitrofuran-2-yl)methanimine oxide
SYSTEMATIC NAME: N-methyl-1-(4-nitrofuran-2-yl)methanimine oxide
MOLECULAR FORMULA: C6H6N2O4
MOLECULAR WEIGHT: 170.12284
SMILES: C/[N+](=C/C1=CC(=CO1)[N+](=O)[O-])/[O-]
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Product OPENEYE NAME: (3R,3aR,4S,6aR)-2-methyl-3,4-diphenyl-3a,5,6,6a-tetrahydro-3H-phospholo[2,3-d]isoxazole 4-oxide
CAS Name: (3R,3aR,4S,6aR)-2-methyl-3,4-diphenyl-3a,5,6,6a-tetrahydro-3H-phospholo[2,3-d]isoxazole 4-oxide
IUPAC NAME: (3R,3aR,4S,6aR)-2-methyl-3,4-diphenyl-3a,5,6,6a-tetrahydro-3H-phospholo[2,3-d][1,2]oxazole 4-oxide
SYSTEMATIC NAME: (3R,3aR,4S,6aR)-2-methyl-3,4-diphenyl-3a,5,6,6a-tetrahydro-3H-phospholo[2,3-d][1,2]oxazole 4-oxide
MOLECULAR FORMULA: C18H20NO2P
MOLECULAR WEIGHT: 313.330661
SMILES: CN1[C@@H]([C@@H]2[C@H](O1)CC[P@@]2(=O)C3=CC=CC=C3)C4=CC=CC=C4
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Product OPENEYE NAME: methyl (3R,3aR,4S,6aR)-2-methyl-4-oxo-4-phenyl-3a,5,6,6a-tetrahydro-3H-phospholo[2,3-d]isoxazole-3-carboxylate
CAS Name: (3R,3aR,4S,6aR)-2-methyl-4-oxo-4-phenyl-3a,5,6,6a-tetrahydro-3H-phospholo[2,3-d]isoxazole-3-carboxylic acid methyl ester
IUPAC NAME: methyl (3R,3aR,4S,6aR)-2-methyl-4-oxo-4-phenyl-3a,5,6,6a-tetrahydro-3H-phospholo[2,3-d][1,2]oxazole-3-carboxylate
SYSTEMATIC NAME: methyl (3R,3aR,4S,6aR)-2-methyl-4-oxidanylidene-4-phenyl-3a,5,6,6a-tetrahydro-3H-phospholo[2,3-d][1,2]oxazole-3-carboxylate
MOLECULAR FORMULA: C14H18NO4P
MOLECULAR WEIGHT: 295.270781
SMILES: CN1[C@@H]([C@@H]2[C@H](O1)CC[P@@]2(=O)C3=CC=CC=C3)C(=O)OC
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Product OPENEYE NAME: (3S,3aS,6aS)-4-ethoxy-2-methyl-3-(2-pyridyl)-3a,5,6,6a-tetrahydro-3H-phospholo[2,3-d]isoxazole 4-oxide
CAS Name: (3S,3aS,6aS)-4-ethoxy-2-methyl-3-(2-pyridinyl)-3a,5,6,6a-tetrahydro-3H-phospholo[2,3-d]isoxazole 4-oxide
IUPAC NAME: (3S,3aS,6aS)-4-ethoxy-2-methyl-3-pyridin-2-yl-3a,5,6,6a-tetrahydro-3H-phospholo[2,3-d][1,2]oxazole 4-oxide
SYSTEMATIC NAME: (3S,3aS,6aS)-4-ethoxy-2-methyl-3-pyridin-2-yl-3a,5,6,6a-tetrahydro-3H-phospholo[2,3-d][1,2]oxazole 4-oxide
MOLECULAR FORMULA: C13H19N2O3P
MOLECULAR WEIGHT: 282.275321
SMILES: CCOP1(=O)CC[C@H]2[C@@H]1[C@@H](N(O2)C)C3=CC=CC=N3
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Product OPENEYE NAME: ethyl (3S,3aS,4R,6aS)-4-ethoxy-2-methyl-4-oxo-3a,5,6,6a-tetrahydro-3H-phospholo[2,3-d]isoxazole-3-carboxylate
CAS Name: (3S,3aS,4R,6aS)-4-ethoxy-2-methyl-4-oxo-3a,5,6,6a-tetrahydro-3H-phospholo[2,3-d]isoxazole-3-carboxylic acid ethyl ester
IUPAC NAME: ethyl (3S,3aS,4R,6aS)-4-ethoxy-2-methyl-4-oxo-3a,5,6,6a-tetrahydro-3H-phospholo[2,3-d][1,2]oxazole-3-carboxylate
SYSTEMATIC NAME: ethyl (3S,3aS,4R,6aS)-4-ethoxy-2-methyl-4-oxidanylidene-3a,5,6,6a-tetrahydro-3H-phospholo[2,3-d][1,2]oxazole-3-carboxylate
MOLECULAR FORMULA: C11H20NO5P
MOLECULAR WEIGHT: 277.253961
SMILES: CCOC(=O)[C@H]1[C@H]2[C@H](CC[P@@]2(=O)OCC)ON1C
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Product OPENEYE NAME: 2-methyl-4-(2-thienyl)-1,3-dihydroisoquinoline-4-carboxylate
CAS Name: 2-methyl-4-thiophen-2-yl-1,3-dihydroisoquinoline-4-carboxylate
IUPAC NAME: 2-methyl-4-thiophen-2-yl-1,3-dihydroisoquinoline-4-carboxylate
SYSTEMATIC NAME: 2-methyl-4-thiophen-2-yl-1,3-dihydroisoquinoline-4-carboxylate
MOLECULAR FORMULA: C15H14NO2S-
MOLECULAR WEIGHT: 272.34216
SMILES: CN1CC2=CC=CC=C2C(C1)(C3=CC=CS3)C(=O)[O-]
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Product OPENEYE NAME: 2-methyl-4-(2-thienyl)-1,3-dihydroisoquinoline-4-carboxylic acid
CAS Name: 2-methyl-4-thiophen-2-yl-1,3-dihydroisoquinoline-4-carboxylic acid
IUPAC NAME: 2-methyl-4-thiophen-2-yl-1,3-dihydroisoquinoline-4-carboxylic acid
SYSTEMATIC NAME: 2-methyl-4-thiophen-2-yl-1,3-dihydroisoquinoline-4-carboxylic acid
MOLECULAR FORMULA: C15H15NO2S
MOLECULAR WEIGHT: 273.3501
SMILES: CN1CC2=CC=CC=C2C(C1)(C3=CC=CS3)C(=O)O
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Product OPENEYE NAME: ethyl N-[(2-amino-5-chloro-benzoyl)-tert-butyl-amino]carbamate
CAS Name: N-[[(2-amino-5-chlorophenyl)-oxomethyl]-tert-butylamino]carbamic acid ethyl ester
IUPAC NAME: ethyl N-[(2-amino-5-chlorobenzoyl)-tert-butylamino]carbamate
SYSTEMATIC NAME: ethyl N-[(2-azanyl-5-chloranyl-phenyl)carbonyl-tert-butyl-amino]carbamate
MOLECULAR FORMULA: C14H20ClN3O3
MOLECULAR WEIGHT: 313.7799
SMILES: CCOC(=O)NN(C(=O)C1=C(C=CC(=C1)Cl)N)C(C)(C)C
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Product OPENEYE NAME: 2-[(1S,3R)-3-benzoylcyclohexyl]pyridine-4-carbonitrile
CAS Name: 2-[(1S,3R)-3-benzoylcyclohexyl]-4-pyridinecarbonitrile
IUPAC NAME: 2-[(1S,3R)-3-benzoylcyclohexyl]pyridine-4-carbonitrile
SYSTEMATIC NAME: 2-[(1S,3R)-3-(phenylcarbonyl)cyclohexyl]pyridine-4-carbonitrile
MOLECULAR FORMULA: C19H18N2O
MOLECULAR WEIGHT: 290.35902
SMILES: C1C[C@@H](C[C@@H](C1)C(=O)C2=CC=CC=C2)C3=NC=CC(=C3)C#N
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Product OPENEYE NAME: 2-[(1R,3R)-3-benzoylcyclohexyl]pyridine-4-carbonitrile
CAS Name: 2-[(1R,3R)-3-benzoylcyclohexyl]-4-pyridinecarbonitrile
IUPAC NAME: 2-[(1R,3R)-3-benzoylcyclohexyl]pyridine-4-carbonitrile
SYSTEMATIC NAME: 2-[(1R,3R)-3-(phenylcarbonyl)cyclohexyl]pyridine-4-carbonitrile
MOLECULAR FORMULA: C19H18N2O
MOLECULAR WEIGHT: 290.35902
SMILES: C1C[C@H](C[C@@H](C1)C(=O)C2=CC=CC=C2)C3=NC=CC(=C3)C#N
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Product OPENEYE NAME: 1H-pyridine-4-carbonitrile
CAS Name: 1H-pyridine-4-carbonitrile
IUPAC NAME: 1H-pyridine-4-carbonitrile
SYSTEMATIC NAME: 1H-pyridine-4-carbonitrile
MOLECULAR FORMULA: C6H5N2
MOLECULAR WEIGHT: 105.1173
SMILES: C1=CNC=C[C]1C#N
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Product OPENEYE NAME: 5-oxopyrido[1,2-g][1,6]naphthyridine-11-carbonitrile
CAS Name: 5-oxo-11-pyrido[1,2-g][1,6]naphthyridinecarbonitrile
IUPAC NAME: 5-oxopyrido[1,2-g][1,6]naphthyridine-11-carbonitrile
SYSTEMATIC NAME: 5-oxidanylidenepyrido[1,2-g][1,6]naphthyridine-11-carbonitrile
MOLECULAR FORMULA: C13H7N3O
MOLECULAR WEIGHT: 221.21418
SMILES: C1=CC2=C(C3=C(C=CC=N3)C(=O)N2C=C1)C#N
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Product OPENEYE NAME: 1-[[3-[(3-bromophenyl)methyl]-4-oxo-1-phenyl-2H-quinazolin-2-yl]methyl]-3-phenyl-urea
CAS Name: 1-[[3-[(3-bromophenyl)methyl]-4-oxo-1-phenyl-2H-quinazolin-2-yl]methyl]-3-phenylurea
IUPAC NAME: 1-[[3-[(3-bromophenyl)methyl]-4-oxo-1-phenyl-2H-quinazolin-2-yl]methyl]-3-phenylurea
SYSTEMATIC NAME: 1-[[3-[(3-bromophenyl)methyl]-4-oxidanylidene-1-phenyl-2H-quinazolin-2-yl]methyl]-3-phenyl-urea
MOLECULAR FORMULA: C29H25BrN4O2
MOLECULAR WEIGHT: 541.4384
SMILES: C1=CC=C(C=C1)NC(=O)NCC2N(C(=O)C3=CC=CC=C3N2C4=CC=CC=C4)CC5=CC(=CC=C5)Br
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Product OPENEYE NAME: 2-(2-amino-4-chloro-anilino)benzoyl chloride
CAS Name: 2-(2-amino-4-chloroanilino)benzoyl chloride
IUPAC NAME: 2-(2-amino-4-chloroanilino)benzoyl chloride
SYSTEMATIC NAME: 2-[(2-azanyl-4-chloranyl-phenyl)amino]benzoyl chloride
MOLECULAR FORMULA: C13H10Cl2N2O
MOLECULAR WEIGHT: 281.1373
SMILES: C1=CC=C(C(=C1)C(=O)Cl)NC2=C(C=C(C=C2)Cl)N
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Product OPENEYE NAME: (6-formyl-2-methoxy-3-nitro-phenyl) acetate
CAS Name: acetic acid (6-formyl-2-methoxy-3-nitrophenyl) ester
IUPAC NAME: (6-formyl-2-methoxy-3-nitrophenyl) acetate
SYSTEMATIC NAME: (6-methanoyl-2-methoxy-3-nitro-phenyl) ethanoate
MOLECULAR FORMULA: C10H9NO6
MOLECULAR WEIGHT: 239.18156
SMILES: CC(=O)OC1=C(C=CC(=C1OC)[N+](=O)[O-])C=O
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Product OPENEYE NAME: 2-[(5-nitrothiazol-2-yl)-[2-(p-tolylsulfonyloxy)ethyl]amino]ethyl 4-methylbenzenesulfonate
CAS Name: 4-methylbenzenesulfonic acid 2-[2-(4-methylphenyl)sulfonyloxyethyl-(5-nitro-2-thiazolyl)amino]ethyl ester
IUPAC NAME: 2-[2-(4-methylphenyl)sulfonyloxyethyl-(5-nitro-1,3-thiazol-2-yl)amino]ethyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: 2-[2-(4-methylphenyl)sulfonyloxyethyl-(5-nitro-1,3-thiazol-2-yl)amino]ethyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C21H23N3O8S3
MOLECULAR WEIGHT: 541.61762
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=NC=C(S3)[N+](=O)[O-]
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Product OPENEYE NAME: (4Z)-4-[(4-butyl-2-pyridyl)hydrazono]-3-hydroxy-cyclohexa-2,5-dien-1-one
CAS Name: (4Z)-4-[(4-butyl-2-pyridinyl)hydrazinylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
IUPAC NAME: (4Z)-4-[(4-butylpyridin-2-yl)hydrazinylidene]-3-hydroxycyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: (4Z)-4-[(4-butylpyridin-2-yl)hydrazinylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C15H17N3O2
MOLECULAR WEIGHT: 271.31438
SMILES: CCCCC1=CC(=NC=C1)N/N=C\2/C=CC(=O)C=C2O
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Product OPENEYE NAME: (4Z)-3-hydroxy-4-[(4-octyl-2-pyridyl)hydrazono]cyclohexa-2,5-dien-1-one
CAS Name: (4Z)-3-hydroxy-4-[(4-octyl-2-pyridinyl)hydrazinylidene]-1-cyclohexa-2,5-dienone
IUPAC NAME: (4Z)-3-hydroxy-4-[(4-octylpyridin-2-yl)hydrazinylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: (4Z)-4-[(4-octylpyridin-2-yl)hydrazinylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C19H25N3O2
MOLECULAR WEIGHT: 327.4207
SMILES: CCCCCCCCC1=CC(=NC=C1)N/N=C\2/C=CC(=O)C=C2O
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Product OPENEYE NAME: (4Z)-4-[(4-hexadecyl-2-pyridyl)hydrazono]-3-hydroxy-cyclohexa-2,5-dien-1-one
CAS Name: (4Z)-4-[(4-hexadecyl-2-pyridinyl)hydrazinylidene]-3-hydroxy-1-cyclohexa-2,5-dienone
IUPAC NAME: (4Z)-4-[(4-hexadecylpyridin-2-yl)hydrazinylidene]-3-hydroxycyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: (4Z)-4-[(4-hexadecylpyridin-2-yl)hydrazinylidene]-3-oxidanyl-cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C27H41N3O2
MOLECULAR WEIGHT: 439.63334
SMILES: CCCCCCCCCCCCCCCCC1=CC(=NC=C1)N/N=C\2/C=CC(=O)C=C2O
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Product OPENEYE NAME: 4-octylpyridin-2-amine
CAS Name: 4-octyl-2-pyridinamine
IUPAC NAME: 4-octylpyridin-2-amine
SYSTEMATIC NAME: 4-octylpyridin-2-amine
MOLECULAR FORMULA: C13H22N2
MOLECULAR WEIGHT: 206.32718
SMILES: CCCCCCCCC1=CC(=NC=C1)N
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Product OPENEYE NAME: (3Z)-3-[(4-butyl-2-pyridyl)hydrazono]naphthalen-2-one
CAS Name: (3Z)-3-[(4-butyl-2-pyridinyl)hydrazinylidene]-2-naphthalenone
IUPAC NAME: (3Z)-3-[(4-butylpyridin-2-yl)hydrazinylidene]naphthalen-2-one
SYSTEMATIC NAME: (3Z)-3-[(4-butylpyridin-2-yl)hydrazinylidene]naphthalen-2-one
MOLECULAR FORMULA: C19H19N3O
MOLECULAR WEIGHT: 305.37366
SMILES: CCCCC1=CC(=NC=C1)N/N=C\2/C=C3C=CC=CC3=CC2=O
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