Wednesday, August 31, 2011

http://ChemLookup.com Compounds




CAS RN: 91119-70-9
CAS Name: 6-[(1E)-1-methoxyiminoethyl]-4-methyl-1,4-benzothiazin-3-one
OPENEYE Name: 6-[(E)-N-methoxy-C-methyl-carbonimidoyl]-4-methyl-1,4-benzothiazin-3-one
IUPAC Name: 6-[(E)-N-methoxy-C-methylcarbonimidoyl]-4-methyl-1,4-benzothiazin-3-one
SYSTEMATIC NAME: 6-[(E)-N-methoxy-C-methyl-carbonimidoyl]-4-methyl-1,4-benzothiazin-3-one
MOLECULAR FORMULA: C12H14N2O2S
MOLECULAR WEIGHT: 250.31676
SMILES: C/C(=N\OC)/C1=CC2=C(C=C1)SCC(=O)N2C
Structure:

CAS RN: 91119-68-5
CAS Name: 4-ethyl-6-[(1E)-1-phenylmethoxyiminoethyl]-1,4-benzoxazin-3-one
OPENEYE Name: 6-[(E)-N-benzyloxy-C-methyl-carbonimidoyl]-4-ethyl-1,4-benzoxazin-3-one
IUPAC Name: 4-ethyl-6-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 4-ethyl-6-[(E)-C-methyl-N-phenylmethoxy-carbonimidoyl]-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C19H20N2O3
MOLECULAR WEIGHT: 324.3737
SMILES: CCN1C(=O)COC2=C1C=C(C=C2)/C(=N/OCC3=CC=CC=C3)/C
Structure:

CAS RN: 91119-61-8
CAS Name: 4-ethyl-6-[(1E)-1-prop-2-enoxyiminoethyl]-1,4-benzoxazin-3-one
OPENEYE Name: 6-[(E)-N-allyloxy-C-methyl-carbonimidoyl]-4-ethyl-1,4-benzoxazin-3-one
IUPAC Name: 4-ethyl-6-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 4-ethyl-6-[(E)-C-methyl-N-prop-2-enoxy-carbonimidoyl]-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C15H18N2O3
MOLECULAR WEIGHT: 274.31502
SMILES: CCN1C(=O)COC2=C1C=C(C=C2)/C(=N/OCC=C)/C
Structure:

CAS RN: 91119-60-7
CAS Name: 6-[(1E)-1-butoxyiminoethyl]-4-ethyl-1,4-benzoxazin-3-one
OPENEYE Name: 6-[(E)-N-butoxy-C-methyl-carbonimidoyl]-4-ethyl-1,4-benzoxazin-3-one
IUPAC Name: 6-[(E)-N-butoxy-C-methylcarbonimidoyl]-4-ethyl-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 6-[(E)-N-butoxy-C-methyl-carbonimidoyl]-4-ethyl-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C16H22N2O3
MOLECULAR WEIGHT: 290.35748
SMILES: CCCCO/N=C(\C)/C1=CC2=C(C=C1)OCC(=O)N2CC
Structure:

CAS RN: 91119-59-4
CAS Name: 4-ethyl-6-[(1E)-1-propoxyiminoethyl]-1,4-benzoxazin-3-one
OPENEYE Name: 4-ethyl-6-[(E)-C-methyl-N-propoxy-carbonimidoyl]-1,4-benzoxazin-3-one
IUPAC Name: 4-ethyl-6-[(E)-C-methyl-N-propoxycarbonimidoyl]-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 4-ethyl-6-[(E)-C-methyl-N-propoxy-carbonimidoyl]-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C15H20N2O3
MOLECULAR WEIGHT: 276.3309
SMILES: CCCO/N=C(\C)/C1=CC2=C(C=C1)OCC(=O)N2CC
Structure:

CAS RN: 91119-58-3
CAS Name: 6-[(1E)-1-ethoxyiminoethyl]-4-ethyl-1,4-benzoxazin-3-one
OPENEYE Name: 6-[(E)-N-ethoxy-C-methyl-carbonimidoyl]-4-ethyl-1,4-benzoxazin-3-one
IUPAC Name: 6-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-ethyl-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 6-[(E)-N-ethoxy-C-methyl-carbonimidoyl]-4-ethyl-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C14H18N2O3
MOLECULAR WEIGHT: 262.30432
SMILES: CCN1C(=O)COC2=C1C=C(C=C2)/C(=N/OCC)/C
Structure:

CAS RN: 91119-57-2
CAS Name: 4-ethyl-6-[(1E)-1-methoxyiminoethyl]-1,4-benzoxazin-3-one
OPENEYE Name: 4-ethyl-6-[(E)-N-methoxy-C-methyl-carbonimidoyl]-1,4-benzoxazin-3-one
IUPAC Name: 4-ethyl-6-[(E)-N-methoxy-C-methylcarbonimidoyl]-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 4-ethyl-6-[(E)-N-methoxy-C-methyl-carbonimidoyl]-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C13H16N2O3
MOLECULAR WEIGHT: 248.27774
SMILES: CCN1C(=O)COC2=C1C=C(C=C2)/C(=N/OC)/C
Structure:

CAS RN: 91119-54-9
CAS Name: 4-methyl-6-[(1E)-1-phenylmethoxyiminoethyl]-1,4-benzoxazin-3-one
OPENEYE Name: 6-[(E)-N-benzyloxy-C-methyl-carbonimidoyl]-4-methyl-1,4-benzoxazin-3-one
IUPAC Name: 4-methyl-6-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 4-methyl-6-[(E)-C-methyl-N-phenylmethoxy-carbonimidoyl]-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C18H18N2O3
MOLECULAR WEIGHT: 310.34712
SMILES: C/C(=N\OCC1=CC=CC=C1)/C2=CC3=C(C=C2)OCC(=O)N3C
Structure:

CAS RN: 91119-51-6
CAS Name: 4-methyl-6-[(1E)-1-prop-2-ynoxyiminoethyl]-1,4-benzoxazin-3-one
OPENEYE Name: 4-methyl-6-[(E)-C-methyl-N-prop-2-ynoxy-carbonimidoyl]-1,4-benzoxazin-3-one
IUPAC Name: 4-methyl-6-[(E)-C-methyl-N-prop-2-ynoxycarbonimidoyl]-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 4-methyl-6-[(E)-C-methyl-N-prop-2-ynoxy-carbonimidoyl]-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C14H14N2O3
MOLECULAR WEIGHT: 258.27256
SMILES: C/C(=N\OCC#C)/C1=CC2=C(C=C1)OCC(=O)N2C
Structure:

CAS RN: 91119-50-5
CAS Name: 4-methyl-6-[(1E)-1-prop-2-enoxyiminoethyl]-1,4-benzoxazin-3-one
OPENEYE Name: 6-[(E)-N-allyloxy-C-methyl-carbonimidoyl]-4-methyl-1,4-benzoxazin-3-one
IUPAC Name: 4-methyl-6-[(E)-C-methyl-N-prop-2-enoxycarbonimidoyl]-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 4-methyl-6-[(E)-C-methyl-N-prop-2-enoxy-carbonimidoyl]-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C14H16N2O3
MOLECULAR WEIGHT: 260.28844
SMILES: C/C(=N\OCC=C)/C1=CC2=C(C=C1)OCC(=O)N2C
Structure:

CAS RN: 91119-49-2
CAS Name: 6-[(1E)-1-butoxyiminoethyl]-4-methyl-1,4-benzoxazin-3-one
OPENEYE Name: 6-[(E)-N-butoxy-C-methyl-carbonimidoyl]-4-methyl-1,4-benzoxazin-3-one
IUPAC Name: 6-[(E)-N-butoxy-C-methylcarbonimidoyl]-4-methyl-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 6-[(E)-N-butoxy-C-methyl-carbonimidoyl]-4-methyl-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C15H20N2O3
MOLECULAR WEIGHT: 276.3309
SMILES: CCCCO/N=C(\C)/C1=CC2=C(C=C1)OCC(=O)N2C
Structure:

CAS RN: 91119-48-1
CAS Name: 4-methyl-6-[(1E)-1-propoxyiminoethyl]-1,4-benzoxazin-3-one
OPENEYE Name: 4-methyl-6-[(E)-C-methyl-N-propoxy-carbonimidoyl]-1,4-benzoxazin-3-one
IUPAC Name: 4-methyl-6-[(E)-C-methyl-N-propoxycarbonimidoyl]-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 4-methyl-6-[(E)-C-methyl-N-propoxy-carbonimidoyl]-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C14H18N2O3
MOLECULAR WEIGHT: 262.30432
SMILES: CCCO/N=C(\C)/C1=CC2=C(C=C1)OCC(=O)N2C
Structure:

CAS RN: 91119-47-0
CAS Name: 6-[(1E)-1-ethoxyiminoethyl]-4-methyl-1,4-benzoxazin-3-one
OPENEYE Name: 6-[(E)-N-ethoxy-C-methyl-carbonimidoyl]-4-methyl-1,4-benzoxazin-3-one
IUPAC Name: 6-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-methyl-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 6-[(E)-N-ethoxy-C-methyl-carbonimidoyl]-4-methyl-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C13H16N2O3
MOLECULAR WEIGHT: 248.27774
SMILES: CCO/N=C(\C)/C1=CC2=C(C=C1)OCC(=O)N2C
Structure:

CAS RN: 91119-46-9
CAS Name: 6-[(1E)-1-methoxyiminoethyl]-4-methyl-1,4-benzoxazin-3-one
OPENEYE Name: 6-[(E)-N-methoxy-C-methyl-carbonimidoyl]-4-methyl-1,4-benzoxazin-3-one
IUPAC Name: 6-[(E)-N-methoxy-C-methylcarbonimidoyl]-4-methyl-1,4-benzoxazin-3-one
SYSTEMATIC NAME: 6-[(E)-N-methoxy-C-methyl-carbonimidoyl]-4-methyl-1,4-benzoxazin-3-one
MOLECULAR FORMULA: C12H14N2O3
MOLECULAR WEIGHT: 234.25116
SMILES: C/C(=N\OC)/C1=CC2=C(C=C1)OCC(=O)N2C
Structure:

CAS RN: 90944-21-1
CAS Name: N,N-bis(2-chloroethyl)sulfamic acid phenyl ester
OPENEYE Name: phenyl N,N-bis(2-chloroethyl)sulfamate
IUPAC Name: phenyl N,N-bis(2-chloroethyl)sulfamate
SYSTEMATIC NAME: phenyl N,N-bis(2-chloroethyl)sulfamate
MOLECULAR FORMULA: C10H13Cl2NO3S
MOLECULAR WEIGHT: 298.18612
SMILES: C1=CC=C(C=C1)OS(=O)(=O)N(CCCl)CCCl
Structure:

CAS RN: 90921-74-7
CAS Name: 5-(2-aziridinyl)-2,3-dimethylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 5-(aziridin-2-yl)-2,3-dimethyl-1,4-benzoquinone
IUPAC Name: 5-(aziridin-2-yl)-2,3-dimethylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 5-(aziridin-2-yl)-2,3-dimethyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C10H11NO2
MOLECULAR WEIGHT: 177.19984
SMILES: CC1=C(C(=O)C(=CC1=O)C2CN2)C
Structure:

CAS RN: 90724-44-0
CAS Name: 3-methoxypyridin-1-ium chloride
OPENEYE Name: 3-methoxypyridin-1-ium chloride
IUPAC Name: 3-methoxypyridin-1-ium chloride
SYSTEMATIC NAME: 3-methoxypyridin-1-ium chloride
MOLECULAR FORMULA: C6H8ClNO
MOLECULAR WEIGHT: 145.58682
SMILES: COC1=C[NH+]=CC=C1.[Cl-]
Structure:

CAS RN: 90439-20-6
CAS Name: N-ethyl-3,4-dimethoxybenzamide hydrochloride
OPENEYE Name: N-ethyl-3,4-dimethoxy-benzamide hydrochloride
IUPAC Name: N-ethyl-3,4-dimethoxybenzamide hydrochloride
SYSTEMATIC NAME: N-ethyl-3,4-dimethoxy-benzamide hydrochloride
MOLECULAR FORMULA: C11H16ClNO3
MOLECULAR WEIGHT: 245.70264
SMILES: CCNC(=O)C1=CC(=C(C=C1)OC)OC.Cl
Structure:

CAS RN: 90146-03-5
CAS Name: 7-methoxy-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-1-benzopyran-4-carbonitrile
OPENEYE Name: 7-methoxy-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxo-chromene-4-carbonitrile
IUPAC Name: 7-methoxy-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxochromene-4-carbonitrile
SYSTEMATIC NAME: 7-methoxy-3-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxidanylidene-chromene-4-carbonitrile
MOLECULAR FORMULA: C19H12N2O4S
MOLECULAR WEIGHT: 364.37458
SMILES: COC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=NC4=C(S3)C=C(C=C4)OC)C#N
Structure:

CAS RN: 89457-52-3
CAS Name: nonanoic acid 4-hydroxybutan-2-yl ester
OPENEYE Name: (3-hydroxy-1-methyl-propyl) nonanoate
IUPAC Name: 4-hydroxybutan-2-yl nonanoate
SYSTEMATIC NAME: 4-oxidanylbutan-2-yl nonanoate
MOLECULAR FORMULA: C13H26O3
MOLECULAR WEIGHT: 230.34374
SMILES: CCCCCCCCC(=O)OC(C)CCO
Structure:

CAS RN: 89455-78-7
CAS Name: 2,4,8-triamino-2-[5-amino-2-[(diaminomethylideneamino)methyl]-6-(1H-imidazol-5-yl)-1,4-dioxo-3-[1-oxo-2-[[oxo(2-pyrrolidinyl)methyl]amino]ethyl]-1-(5-oxo-2-pyrrolidinyl)hexan-3-yl]-3-oxooctanoic acid
OPENEYE Name: 2,4,8-triamino-2-[3-amino-1-[1-(guanidinomethyl)-2-oxo-2-(5-oxopyrrolidin-2-yl)ethyl]-4-(1H-imidazol-5-yl)-2-oxo-1-[2-(pyrrolidine-2-carbonylamino)acetyl]butyl]-3-oxo-octanoic acid
IUPAC Name: 2,4,8-triamino-2-[5-amino-2-[(diaminomethylideneamino)methyl]-6-(1H-imidazol-5-yl)-1,4-dioxo-1-(5-oxopyrrolidin-2-yl)-3-[2-(pyrrolidine-2-carbonylamino)acetyl]hexan-3-yl]-3-oxooctanoic acid
SYSTEMATIC NAME: 2,4,8-tris(azanyl)-2-[5-azanyl-2-[[bis(azanyl)methylideneamino]methyl]-6-(1H-imidazol-5-yl)-1,4-bis(oxidanylidene)-1-(5-oxidanylidenepyrrolidin-2-yl)-3-[2-(pyrrolidin-2-ylcarbonylamino)ethanoyl]hexan-3-yl]-3-oxidanylidene-octanoic acid
MOLECULAR FORMULA: C30H48N12O8
MOLECULAR WEIGHT: 704.77772
SMILES: C1CC(NC1)C(=O)NCC(=O)C(C(CN=C(N)N)C(=O)C2CCC(=O)N2)(C(=O)C(CC3=CN=CN3)N)C(C(=O)C(CCCCN)N)(C(=O)O)N
Structure:

CAS RN: 89380-91-6
CAS Name: N,N-bis(2-chloroethyl)sulfamic acid methyl ester
OPENEYE Name: methyl N,N-bis(2-chloroethyl)sulfamate
IUPAC Name: methyl N,N-bis(2-chloroethyl)sulfamate
SYSTEMATIC NAME: methyl N,N-bis(2-chloroethyl)sulfamate
MOLECULAR FORMULA: C5H11Cl2NO3S
MOLECULAR WEIGHT: 236.11674
SMILES: COS(=O)(=O)N(CCCl)CCCl
Structure:

CAS RN: 89022-83-3
CAS Name: propanoic acid (3,5-ditert-butyl-4-hydroxyphenyl)methyl ester
OPENEYE Name: (3,5-ditert-butyl-4-hydroxy-phenyl)methyl propanoate
IUPAC Name: (3,5-ditert-butyl-4-hydroxyphenyl)methyl propanoate
SYSTEMATIC NAME: (3,5-ditert-butyl-4-oxidanyl-phenyl)methyl propanoate
MOLECULAR FORMULA: C18H28O3
MOLECULAR WEIGHT: 292.41312
SMILES: CCC(=O)OCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
Structure:

CAS RN: 88892-92-6
CAS Name: 1-methyl-8-quinolin-1-iumol acetate
OPENEYE Name: 1-methylquinolin-1-ium-8-ol acetate
IUPAC Name: 1-methylquinolin-1-ium-8-ol acetate
SYSTEMATIC NAME: 1-methylquinolin-1-ium-8-ol ethanoate
MOLECULAR FORMULA: C12H13NO3
MOLECULAR WEIGHT: 219.23652
SMILES: CC(=O)[O-].C[N+]1=CC=CC2=C1C(=CC=C2)O
Structure:

CAS RN: 88797-56-2
CAS Name: 4-morpholinecarbodithioic acid [1-(2-naphthalenylmethyl)-2-benzimidazolyl]methyl ester
OPENEYE Name: [1-(2-naphthylmethyl)benzimidazol-2-yl]methyl morpholine-4-carbodithioate
IUPAC Name: [1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl morpholine-4-carbodithioate
SYSTEMATIC NAME: [1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl morpholine-4-carbodithioate
MOLECULAR FORMULA: C24H23N3OS2
MOLECULAR WEIGHT: 433.58892
SMILES: C1COCCN1C(=S)SCC2=NC3=CC=CC=C3N2CC4=CC5=CC=CC=C5C=C4
Structure:

CAS RN: 88797-54-0
CAS Name: 4-morpholinecarbodithioic acid [1-(benzamidomethyl)-2-benzimidazolyl]methyl ester
OPENEYE Name: [1-(benzamidomethyl)benzimidazol-2-yl]methyl morpholine-4-carbodithioate
IUPAC Name: [1-(benzamidomethyl)benzimidazol-2-yl]methyl morpholine-4-carbodithioate
SYSTEMATIC NAME: [1-(benzamidomethyl)benzimidazol-2-yl]methyl morpholine-4-carbodithioate
MOLECULAR FORMULA: C21H22N4O2S2
MOLECULAR WEIGHT: 426.55498
SMILES: C1COCCN1C(=S)SCC2=NC3=CC=CC=C3N2CNC(=O)C4=CC=CC=C4
Structure:

CAS RN: 87112-55-8
CAS Name: 2-(2-aziridinyl)-5-methylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-(aziridin-2-yl)-5-methyl-1,4-benzoquinone
IUPAC Name: 2-(aziridin-2-yl)-5-methylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-(aziridin-2-yl)-5-methyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C9H9NO2
MOLECULAR WEIGHT: 163.17326
SMILES: CC1=CC(=O)C(=CC1=O)C2CN2
Structure:

CAS RN: 86808-51-7
CAS Name: 2-[(2-ethoxy-2-oxoethyl)amino]-5-methoxy-4-[(4-methylphenyl)thio]benzenediazonium; hydrogen sulfate
OPENEYE Name: 2-[(2-ethoxy-2-oxo-ethyl)amino]-5-methoxy-4-(p-tolylsulfanyl)benzenediazonium; hydrogen sulfate
IUPAC Name: 2-[(2-ethoxy-2-oxoethyl)amino]-5-methoxy-4-(4-methylphenyl)sulfanylbenzenediazonium; hydrogen sulfate
SYSTEMATIC NAME: 2-[(2-ethoxy-2-oxidanylidene-ethyl)amino]-5-methoxy-4-(4-methylphenyl)sulfanyl-benzenediazonium; hydrogen sulfate
MOLECULAR FORMULA: C18H21N3O7S2
MOLECULAR WEIGHT: 455.50524
SMILES: CCOC(=O)CNC1=CC(=C(C=C1[N+]#N)OC)SC2=CC=C(C=C2)C.OS(=O)(=O)[O-]
Structure:

CAS RN: 86711-34-4
CAS Name: 2-methyl-2-propenoate; 2-methyl-2-propenoic acid 2-oxolanylmethyl ester
OPENEYE Name: 2-methylprop-2-enoate; tetrahydrofuran-2-ylmethyl 2-methylprop-2-enoate
IUPAC Name: 2-methylprop-2-enoate; oxolan-2-ylmethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-methylprop-2-enoate; oxolan-2-ylmethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C13H19O5-
MOLECULAR WEIGHT: 255.28696
SMILES: CC(=C)C(=O)[O-].CC(=C)C(=O)OCC1CCCO1
Structure:

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