Sunday, May 27, 2012

http://ChemLookup.com Compounds




CAS RN: 1119-64-8
CAS Name: 1-bromo-1-hexyne
OPENEYE Name: 1-bromohex-1-yne
IUPAC Name: 1-bromohex-1-yne
SYSTEMATIC NAME: 1-bromanylhex-1-yne
MOLECULAR FORMULA: C6H9Br
MOLECULAR WEIGHT: 161.03966
SMILES: CCCCC#CBr
Structure:

CAS RN: 89182-29-6
CAS Name: 1,3-dichloro-6-methyl-1,3-diazinane-2,4-dione
OPENEYE Name: 1,3-dichloro-6-methyl-hexahydropyrimidine-2,4-dione
IUPAC Name: 1,3-dichloro-6-methyl-1,3-diazinane-2,4-dione
SYSTEMATIC NAME: 1,3-bis(chloranyl)-6-methyl-1,3-diazinane-2,4-dione
MOLECULAR FORMULA: C5H6Cl2N2O2
MOLECULAR WEIGHT: 197.01934
SMILES: CC1CC(=O)N(C(=O)N1Cl)Cl
Structure:

CAS RN: 67293-49-6
CAS Name: 3,4,5-trimethoxybenzoic acid 3-[ethyl-[2-(2-methoxyphenyl)ethyl]amino]propyl ester
OPENEYE Name: 3-[ethyl-[2-(2-methoxyphenyl)ethyl]amino]propyl 3,4,5-trimethoxybenzoate
IUPAC Name: 3-[ethyl-[2-(2-methoxyphenyl)ethyl]amino]propyl 3,4,5-trimethoxybenzoate
SYSTEMATIC NAME: 3-[ethyl-[2-(2-methoxyphenyl)ethyl]amino]propyl 3,4,5-trimethoxybenzoate
MOLECULAR FORMULA: C24H33NO6
MOLECULAR WEIGHT: 431.52192
SMILES: CCN(CCCOC(=O)C1=CC(=C(C(=C1)OC)OC)OC)CCC2=CC=CC=C2OC
Structure:

CAS RN: 17762-72-0
CAS Name: 2-phenyl-1,3-oxazinane
OPENEYE Name: 2-phenyl-1,3-oxazinane
IUPAC Name: 2-phenyl-1,3-oxazinane
SYSTEMATIC NAME: 2-phenyl-1,3-oxazinane
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: C1CNC(OC1)C2=CC=CC=C2
Structure:

CAS RN: 93729-93-2
CAS Name: N-phenyl-N-(2-pyridinylmethylideneamino)aniline
OPENEYE Name: N-phenyl-N-(2-pyridylmethyleneamino)aniline
IUPAC Name: N-phenyl-N-(pyridin-2-ylmethylideneamino)aniline
SYSTEMATIC NAME: N-phenyl-N-(pyridin-2-ylmethylideneamino)aniline
MOLECULAR FORMULA: C18H15N3
MOLECULAR WEIGHT: 273.3318
SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)N=CC3=CC=CC=N3
Structure:

CAS RN: 27704-96-7
CAS Name: 2-bromo-3-methoxypropanoic acid methyl ester
OPENEYE Name: methyl 2-bromo-3-methoxy-propanoate
IUPAC Name: methyl 2-bromo-3-methoxypropanoate
SYSTEMATIC NAME: methyl 2-bromanyl-3-methoxy-propanoate
MOLECULAR FORMULA: C5H9BrO3
MOLECULAR WEIGHT: 197.02716
SMILES: COCC(C(=O)OC)Br
Structure:

CAS RN: 3183-36-6
CAS Name: 2-[(2,2-dichloro-1-oxoethyl)amino]-3-methoxypropanoic acid
OPENEYE Name: 2-[(2,2-dichloroacetyl)amino]-3-methoxy-propanoic acid
IUPAC Name: 2-[(2,2-dichloroacetyl)amino]-3-methoxypropanoic acid
SYSTEMATIC NAME: 2-[2,2-bis(chloranyl)ethanoylamino]-3-methoxy-propanoic acid
MOLECULAR FORMULA: C6H9Cl2NO4
MOLECULAR WEIGHT: 230.04596
SMILES: COCC(C(=O)O)NC(=O)C(Cl)Cl
Structure:

CAS RN: 86096-33-5
CAS Name: 2-[(2-chloro-1-oxoethyl)amino]-3-methoxypropanoic acid
OPENEYE Name: 2-[(2-chloroacetyl)amino]-3-methoxy-propanoic acid
IUPAC Name: 2-[(2-chloroacetyl)amino]-3-methoxypropanoic acid
SYSTEMATIC NAME: 2-(2-chloranylethanoylamino)-3-methoxy-propanoic acid
MOLECULAR FORMULA: C6H10ClNO4
MOLECULAR WEIGHT: 195.6009
SMILES: COCC(C(=O)O)NC(=O)CCl
Structure:

CAS RN: 26028-43-3
CAS Name: 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane
OPENEYE Name: 1,3,5-triallyl-1,3,5-triazinane
IUPAC Name: 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane
SYSTEMATIC NAME: 1,3,5-tris(prop-2-enyl)-1,3,5-triazinane
MOLECULAR FORMULA: C12H21N3
MOLECULAR WEIGHT: 207.31524
SMILES: C=CCN1CN(CN(C1)CC=C)CC=C
Structure:

CAS RN: 4386-16-7
CAS Name: 2,4-dihydroxy-3,3-dimethylbutanehydrazide
OPENEYE Name: 2,4-dihydroxy-3,3-dimethyl-butanehydrazide
IUPAC Name: 2,4-dihydroxy-3,3-dimethylbutanehydrazide
SYSTEMATIC NAME: 3,3-dimethyl-2,4-bis(oxidanyl)butanehydrazide
MOLECULAR FORMULA: C6H14N2O3
MOLECULAR WEIGHT: 162.18696
SMILES: CC(C)(CO)C(C(=O)NN)O
Structure:

CAS RN: 10298-83-6
CAS Name: 1,4-dioxido-1,4-diazoniabicyclo[2.2.2]octane
OPENEYE Name: 1,4-dioxido-1,4-diazoniabicyclo[2.2.2]octane
IUPAC Name: 1,4-dioxido-1,4-diazoniabicyclo[2.2.2]octane
SYSTEMATIC NAME: 1,4-bis(oxidanidyl)-1,4-diazoniabicyclo[2.2.2]octane
MOLECULAR FORMULA: C6H12N2O2
MOLECULAR WEIGHT: 144.17168
SMILES: C1C[N+]2(CC[N+]1(CC2)[O-])[O-]
Structure:

CAS RN: 83631-29-2
CAS Name: 2-(2,4-dichloro-5-nitrophenoxy)acetic acid
OPENEYE Name: 2-(2,4-dichloro-5-nitro-phenoxy)acetic acid
IUPAC Name: 2-(2,4-dichloro-5-nitrophenoxy)acetic acid
SYSTEMATIC NAME: 2-[2,4-bis(chloranyl)-5-nitro-phenoxy]ethanoic acid
MOLECULAR FORMULA: C8H5Cl2NO5
MOLECULAR WEIGHT: 266.035
SMILES: C1=C(C(=CC(=C1OCC(=O)O)Cl)Cl)[N+](=O)[O-]
Structure:

CAS RN: 7409-39-4
CAS Name: 2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-oxopropyl]amino]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]acetate
IUPAC Name: ethyl 2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]acetate
SYSTEMATIC NAME: ethyl 2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]ethanoate
MOLECULAR FORMULA: C19H27Cl2N3O4
MOLECULAR WEIGHT: 432.34138
SMILES: CCOC(=O)CNC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C
Structure:

CAS RN: 32322-84-2
CAS Name: 2-chloro-N-(2,4,4-trimethylpentan-2-yl)acetamide
OPENEYE Name: 2-chloro-N-(1,1,3,3-tetramethylbutyl)acetamide
IUPAC Name: 2-chloro-N-(2,4,4-trimethylpentan-2-yl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(2,4,4-trimethylpentan-2-yl)ethanamide
MOLECULAR FORMULA: C10H20ClNO
MOLECULAR WEIGHT: 205.7249
SMILES: CC(C)(C)CC(C)(C)NC(=O)CCl
Structure:

CAS RN: 32739-71-2
CAS Name: 2-(hydroxymethyl)-6-(4-methoxyanilino)oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-(4-methoxyanilino)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-(4-methoxyanilino)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-[(4-methoxyphenyl)amino]oxane-3,4,5-triol
MOLECULAR FORMULA: C13H19NO6
MOLECULAR WEIGHT: 285.29306
SMILES: COC1=CC=C(C=C1)NC2C(C(C(C(O2)CO)O)O)O
Structure:

CAS RN: 10571-76-3
CAS Name: 2-(hydroxymethyl)-6-(3-methylanilino)oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-(3-methylanilino)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-(3-methylanilino)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-[(3-methylphenyl)amino]oxane-3,4,5-triol
MOLECULAR FORMULA: C13H19NO5
MOLECULAR WEIGHT: 269.29366
SMILES: CC1=CC(=CC=C1)NC2C(C(C(C(O2)CO)O)O)O
Structure:

CAS RN: 735-48-8
CAS Name: acetic acid [[4-[cyano(phenyl)methylidene]-1-cyclohexa-2,5-dienylidene]amino] ester
OPENEYE Name: [[4-[cyano(phenyl)methylene]cyclohexa-2,5-dien-1-ylidene]amino] acetate
IUPAC Name: [[4-[cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate
SYSTEMATIC NAME: [[4-[cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] ethanoate
MOLECULAR FORMULA: C16H12N2O2
MOLECULAR WEIGHT: 264.27868
SMILES: CC(=O)ON=C1C=CC(=C(C#N)C2=CC=CC=C2)C=C1
Structure:

CAS RN: 17892-25-0
CAS Name: 3,5-dibromo-2-hydroxybenzamide
OPENEYE Name: 3,5-dibromo-2-hydroxy-benzamide
IUPAC Name: 3,5-dibromo-2-hydroxybenzamide
SYSTEMATIC NAME: 3,5-bis(bromanyl)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C7H5Br2NO2
MOLECULAR WEIGHT: 294.9281
SMILES: C1=C(C=C(C(=C1Br)O)C(=O)N)Br
Structure:

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