Friday, June 29, 2012

All Chemical Compounds Information




Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H14N4O
MOLECULAR WEIGHT: 338.36206
SMILES: C1=CC=C2C(=C1)C=CC3=CC4=C(C5=CC=CC=C5[C@@H]([C@H]4O)N=[N+]=[N-])N=C32
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Product OPENEYE NAME: N-[(E)-2-nitroso-1-propyl-pent-1-enyl]hydroxylamine
CAS Name: N-[(E)-5-nitrosooct-4-en-4-yl]hydroxylamine
IUPAC NAME: N-[(E)-5-nitrosooct-4-en-4-yl]hydroxylamine
SYSTEMATIC NAME: N-[(E)-5-nitrosooct-4-en-4-yl]hydroxylamine
MOLECULAR FORMULA: C8H16N2O2
MOLECULAR WEIGHT: 172.22484
SMILES: CCC/C(=C(/CCC)\N=O)/NO
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Product OPENEYE NAME: (E)-3-nitro-1,4-diphenyl-but-3-en-2-one oxime
CAS Name: (E)-3-nitro-1,4-diphenyl-3-buten-2-one oxime
IUPAC NAME: (NZ)-N-[(E)-3-nitro-1,4-diphenylbut-3-en-2-ylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(E)-3-nitro-1,4-diphenyl-but-3-en-2-ylidene]hydroxylamine
MOLECULAR FORMULA: C16H14N2O3
MOLECULAR WEIGHT: 282.29396
SMILES: C1=CC=C(C=C1)C/C(=N/O)/C(=C\C2=CC=CC=C2)/[N+](=O)[O-]
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Product OPENEYE NAME: (E)-3-nitro-1,4-bis(o-tolyl)but-3-en-2-one oxime
CAS Name: (E)-1,4-bis(2-methylphenyl)-3-nitro-3-buten-2-one oxime
IUPAC NAME: (NZ)-N-[(E)-1,4-bis(2-methylphenyl)-3-nitrobut-3-en-2-ylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(E)-1,4-bis(2-methylphenyl)-3-nitro-but-3-en-2-ylidene]hydroxylamine
MOLECULAR FORMULA: C18H18N2O3
MOLECULAR WEIGHT: 310.34712
SMILES: CC1=CC=CC=C1C/C(=N/O)/C(=C\C2=CC=CC=C2C)/[N+](=O)[O-]
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Product OPENEYE NAME: (E)-3-nitro-1,4-bis(p-tolyl)but-3-en-2-one oxime
CAS Name: (E)-1,4-bis(4-methylphenyl)-3-nitro-3-buten-2-one oxime
IUPAC NAME: (NZ)-N-[(E)-1,4-bis(4-methylphenyl)-3-nitrobut-3-en-2-ylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(E)-1,4-bis(4-methylphenyl)-3-nitro-but-3-en-2-ylidene]hydroxylamine
MOLECULAR FORMULA: C18H18N2O3
MOLECULAR WEIGHT: 310.34712
SMILES: CC1=CC=C(C=C1)C/C(=N/O)/C(=C\C2=CC=C(C=C2)C)/[N+](=O)[O-]
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Product OPENEYE NAME: (E)-1,4-bis(1-naphthyl)-3-nitro-but-3-en-2-one oxime
CAS Name: (E)-1,4-bis(1-naphthalenyl)-3-nitro-3-buten-2-one oxime
IUPAC NAME: (NZ)-N-[(E)-1,4-dinaphthalen-1-yl-3-nitrobut-3-en-2-ylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(E)-1,4-dinaphthalen-1-yl-3-nitro-but-3-en-2-ylidene]hydroxylamine
MOLECULAR FORMULA: C24H18N2O3
MOLECULAR WEIGHT: 382.41132
SMILES: C1=CC=C2C(=C1)C=CC=C2C/C(=N/O)/C(=C\C3=CC=CC4=CC=CC=C43)/[N+](=O)[O-]
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Product OPENEYE NAME: (E)-3-nitro-1,4-bis(2-thienyl)but-3-en-2-one oxime
CAS Name: (E)-3-nitro-1,4-dithiophen-2-yl-3-buten-2-one oxime
IUPAC NAME: (NZ)-N-[(E)-3-nitro-1,4-dithiophen-2-ylbut-3-en-2-ylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(E)-3-nitro-1,4-dithiophen-2-yl-but-3-en-2-ylidene]hydroxylamine
MOLECULAR FORMULA: C12H10N2O3S2
MOLECULAR WEIGHT: 294.3494
SMILES: C1=CSC(=C1)C/C(=N/O)/C(=C\C2=CC=CS2)/[N+](=O)[O-]
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Product OPENEYE NAME: (E)-5-nitrooct-5-en-4-one oxime
CAS Name: (E)-5-nitro-5-octen-4-one oxime
IUPAC NAME: (NZ)-N-[(E)-5-nitrooct-5-en-4-ylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(E)-5-nitrooct-5-en-4-ylidene]hydroxylamine
MOLECULAR FORMULA: C8H14N2O3
MOLECULAR WEIGHT: 186.20836
SMILES: CCC/C(=N/O)/C(=C\CC)/[N+](=O)[O-]
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Product OPENEYE NAME: (E)-1,4-dicyclohexyl-3-nitro-but-3-en-2-one oxime
CAS Name: (E)-1,4-dicyclohexyl-3-nitro-3-buten-2-one oxime
IUPAC NAME: (NZ)-N-[(E)-1,4-dicyclohexyl-3-nitrobut-3-en-2-ylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(E)-1,4-dicyclohexyl-3-nitro-but-3-en-2-ylidene]hydroxylamine
MOLECULAR FORMULA: C16H26N2O3
MOLECULAR WEIGHT: 294.38924
SMILES: C1CCC(CC1)C/C(=N/O)/C(=C\C2CCCCC2)/[N+](=O)[O-]
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Product OPENEYE NAME: (4S,5S)-3-benzyl-4-nitro-5-phenyl-4,5-dihydroisoxazole
CAS Name: (4S,5S)-4-nitro-5-phenyl-3-(phenylmethyl)-4,5-dihydroisoxazole
IUPAC NAME: (4S,5S)-3-benzyl-4-nitro-5-phenyl-4,5-dihydro-1,2-oxazole
SYSTEMATIC NAME: (4S,5S)-4-nitro-5-phenyl-3-(phenylmethyl)-4,5-dihydro-1,2-oxazole
MOLECULAR FORMULA: C16H14N2O3
MOLECULAR WEIGHT: 282.29396
SMILES: C1=CC=C(C=C1)CC2=NO[C@H]([C@H]2[N+](=O)[O-])C3=CC=CC=C3
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Product OPENEYE NAME: (4S,5R)-3-benzyl-4-nitro-5-phenyl-4,5-dihydroisoxazole
CAS Name: (4S,5R)-4-nitro-5-phenyl-3-(phenylmethyl)-4,5-dihydroisoxazole
IUPAC NAME: (4S,5R)-3-benzyl-4-nitro-5-phenyl-4,5-dihydro-1,2-oxazole
SYSTEMATIC NAME: (4S,5R)-4-nitro-5-phenyl-3-(phenylmethyl)-4,5-dihydro-1,2-oxazole
MOLECULAR FORMULA: C16H14N2O3
MOLECULAR WEIGHT: 282.29396
SMILES: C1=CC=C(C=C1)CC2=NO[C@@H]([C@H]2[N+](=O)[O-])C3=CC=CC=C3
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Product OPENEYE NAME: 2-amino-3-methyl-N-(2-oxo-3-piperidyl)benzamide
CAS Name: 2-amino-3-methyl-N-(2-oxo-3-piperidinyl)benzamide
IUPAC NAME: 2-amino-3-methyl-N-(2-oxopiperidin-3-yl)benzamide
SYSTEMATIC NAME: 2-azanyl-3-methyl-N-(2-oxidanylidenepiperidin-3-yl)benzamide
MOLECULAR FORMULA: C13H17N3O2
MOLECULAR WEIGHT: 247.29298
SMILES: CC1=CC=CC(=C1N)C(=O)NC2CCCNC2=O
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Product OPENEYE NAME: 2-methyl-6-(4,5,6,7-tetrahydrothiazolo[5,4-b]pyridin-2-yl)aniline
CAS Name: 2-methyl-6-(4,5,6,7-tetrahydrothiazolo[5,4-b]pyridin-2-yl)aniline
IUPAC NAME: 2-methyl-6-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-b]pyridin-2-yl)aniline
SYSTEMATIC NAME: 2-methyl-6-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-b]pyridin-2-yl)aniline
MOLECULAR FORMULA: C13H15N3S
MOLECULAR WEIGHT: 245.3433
SMILES: CC1=CC=CC(=C1N)C2=NC3=C(S2)NCCC3
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H16N2O
MOLECULAR WEIGHT: 240.30034
SMILES: C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2COC(=N3)NC4=CC=CC=C4
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H16N2O
MOLECULAR WEIGHT: 240.30034
SMILES: C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2COC(=N3)NC4=CC=CC=C4
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H18N2O
MOLECULAR WEIGHT: 254.32692
SMILES: CN1[C@H]2[C@H]3C[C@@H]([C@H]2COC1=NC4=CC=CC=C4)C=C3
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H18N2O
MOLECULAR WEIGHT: 254.32692
SMILES: CN1[C@@H]2[C@H]3C[C@@H]([C@@H]2COC1=NC4=CC=CC=C4)C=C3
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H18N2O
MOLECULAR WEIGHT: 242.31622
SMILES: C1C[C@@H]2C[C@H]1[C@@H]3[C@H]2N=C(OC3)NC4=CC=CC=C4
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H18N2O
MOLECULAR WEIGHT: 242.31622
SMILES: C1C[C@@H]2C[C@H]1[C@H]3[C@@H]2N=C(OC3)NC4=CC=CC=C4
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Product OPENEYE NAME:
CAS Name:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H20N2O
MOLECULAR WEIGHT: 256.3428
SMILES: CN1[C@H]2[C@@H]3CC[C@@H](C3)[C@H]2COC1=NC4=CC=CC=C4
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