Wednesday, December 7, 2011

http://ChemLookup.com Compounds




CAS RN: 36342-07-1
CAS Name: (Z)-4-oxo-4-(propylamino)-2-butenoic acid
OPENEYE Name: (Z)-4-oxo-4-(propylamino)but-2-enoic acid
IUPAC Name: (Z)-4-oxo-4-(propylamino)but-2-enoic acid
SYSTEMATIC NAME: (Z)-4-oxidanylidene-4-(propylamino)but-2-enoic acid
MOLECULAR FORMULA: C7H11NO3
MOLECULAR WEIGHT: 157.16714
SMILES: CCCNC(=O)/C=C\C(=O)O
Structure:

CAS RN: 94291-54-0
CAS Name: hexanoic acid [(E)-but-2-enyl] ester
OPENEYE Name: [(E)-but-2-enyl] hexanoate
IUPAC Name: [(E)-but-2-enyl] hexanoate
SYSTEMATIC NAME: [(E)-but-2-enyl] hexanoate
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: CCCCCC(=O)OC/C=C/C
Structure:

CAS RN: 4166-67-0
CAS Name: (E)-4-(ethylamino)-4-oxo-2-butenoic acid
OPENEYE Name: (E)-4-(ethylamino)-4-oxo-but-2-enoic acid
IUPAC Name: (E)-4-(ethylamino)-4-oxobut-2-enoic acid
SYSTEMATIC NAME: (E)-4-(ethylamino)-4-oxidanylidene-but-2-enoic acid
MOLECULAR FORMULA: C6H9NO3
MOLECULAR WEIGHT: 143.14056
SMILES: CCNC(=O)/C=C/C(=O)O
Structure:

CAS RN: 7283-70-7
CAS Name: (Z)-2-butenedioic acid dipropan-2-yl ester
OPENEYE Name: diisopropyl (Z)-but-2-enedioate
IUPAC Name: dipropan-2-yl (Z)-but-2-enedioate
SYSTEMATIC NAME: dipropan-2-yl (Z)-but-2-enedioate
MOLECULAR FORMULA: C10H16O4
MOLECULAR WEIGHT: 200.23164
SMILES: CC(C)OC(=O)/C=C\C(=O)OC(C)C
Structure:

CAS RN: 10099-70-4
CAS Name: (Z)-2-butenedioic acid dipropan-2-yl ester
OPENEYE Name: diisopropyl (Z)-but-2-enedioate
IUPAC Name: dipropan-2-yl (Z)-but-2-enedioate
SYSTEMATIC NAME: dipropan-2-yl (Z)-but-2-enedioate
MOLECULAR FORMULA: C10H16O4
MOLECULAR WEIGHT: 200.23164
SMILES: CC(C)OC(=O)/C=C\C(=O)OC(C)C
Structure:

CAS RN: 4528-26-1
CAS Name: 2-[(E)-prop-1-enyl]-1,3-dioxolane
OPENEYE Name: 2-[(E)-prop-1-enyl]-1,3-dioxolane
IUPAC Name: 2-[(E)-prop-1-enyl]-1,3-dioxolane
SYSTEMATIC NAME: 2-[(E)-prop-1-enyl]-1,3-dioxolane
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: C/C=C/C1OCCO1
Structure:

CAS RN: 52897-73-1
CAS Name: 2-[(E)-prop-1-enyl]-1,3-dioxolane
OPENEYE Name: 2-[(E)-prop-1-enyl]-1,3-dioxolane
IUPAC Name: 2-[(E)-prop-1-enyl]-1,3-dioxolane
SYSTEMATIC NAME: 2-[(E)-prop-1-enyl]-1,3-dioxolane
MOLECULAR FORMULA: C6H10O2
MOLECULAR WEIGHT: 114.1424
SMILES: C/C=C/C1OCCO1
Structure:

CAS RN: 1117-71-1
CAS Name: (E)-4-bromo-2-butenoic acid methyl ester
OPENEYE Name: methyl (E)-4-bromobut-2-enoate
IUPAC Name: methyl (E)-4-bromobut-2-enoate
SYSTEMATIC NAME: methyl (E)-4-bromanylbut-2-enoate
MOLECULAR FORMULA: C5H7BrO2
MOLECULAR WEIGHT: 179.01188
SMILES: COC(=O)/C=C/CBr
Structure:

CAS RN: 924-99-2
CAS Name: (E)-3-(dimethylamino)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(dimethylamino)prop-2-enoate
IUPAC Name: ethyl (E)-3-(dimethylamino)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(dimethylamino)prop-2-enoate
MOLECULAR FORMULA: C7H13NO2
MOLECULAR WEIGHT: 143.18362
SMILES: CCOC(=O)/C=C/N(C)C
Structure:

CAS RN: 1117-37-9
CAS Name: (E)-3-(dimethylamino)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(dimethylamino)prop-2-enoate
IUPAC Name: ethyl (E)-3-(dimethylamino)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(dimethylamino)prop-2-enoate
MOLECULAR FORMULA: C7H13NO2
MOLECULAR WEIGHT: 143.18362
SMILES: CCOC(=O)/C=C/N(C)C
Structure:

CAS RN: 3538-81-6
CAS Name: (E)-2-butenedihydrazide
OPENEYE Name: (E)-but-2-enedihydrazide
IUPAC Name: (E)-but-2-enedihydrazide
SYSTEMATIC NAME: (E)-but-2-enedihydrazide
MOLECULAR FORMULA: C4H8N4O2
MOLECULAR WEIGHT: 144.13192
SMILES: C(=C/C(=O)NN)\C(=O)NN
Structure:

CAS RN: 2802-08-6
CAS Name: (E)-4-(dimethylamino)-3-buten-2-one
OPENEYE Name: (E)-4-(dimethylamino)but-3-en-2-one
IUPAC Name: (E)-4-(dimethylamino)but-3-en-2-one
SYSTEMATIC NAME: (E)-4-(dimethylamino)but-3-en-2-one
MOLECULAR FORMULA: C6H11NO
MOLECULAR WEIGHT: 113.15764
SMILES: CC(=O)/C=C/N(C)C
Structure:

CAS RN: 359-04-6
CAS Name: (Z)-1-chloro-1,2-difluoroethene
OPENEYE Name: (Z)-1-chloro-1,2-difluoro-ethylene
IUPAC Name: (Z)-1-chloro-1,2-difluoroethene
SYSTEMATIC NAME: (Z)-1-chloranyl-1,2-bis(fluoranyl)ethene
MOLECULAR FORMULA: C2HClF2
MOLECULAR WEIGHT: 98.479146
SMILES: C(=C(/F)\Cl)\F
Structure:

CAS RN: 27388-40-5
CAS Name: 4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2-[2-(1-piperidinyl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione
OPENEYE Name: 4-[(E)-2-(3,4-dichlorophenyl)vinyl]-2-[2-(1-piperidyl)ethyl]pyrrolo[3,4-c]quinoline-1,3-dione
IUPAC Name: 4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2-(2-piperidin-1-ylethyl)pyrrolo[3,4-c]quinoline-1,3-dione
SYSTEMATIC NAME: 4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-2-(2-piperidin-1-ylethyl)pyrrolo[3,4-c]quinoline-1,3-dione
MOLECULAR FORMULA: C26H23Cl2N3O2
MOLECULAR WEIGHT: 480.38572
SMILES: C1CCN(CC1)CCN2C(=O)C3=C(C2=O)C(=NC4=CC=CC=C43)/C=C/C5=CC(=C(C=C5)Cl)Cl
Structure:

CAS RN: 3155-48-4
CAS Name: 4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
OPENEYE Name: 4-methoxy-2-[(E)-styryl]-2,3-dihydropyran-6-one
IUPAC Name: 4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
SYSTEMATIC NAME: 4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
MOLECULAR FORMULA: C14H14O3
MOLECULAR WEIGHT: 230.25916
SMILES: COC1=CC(=O)OC(C1)/C=C/C2=CC=CC=C2
Structure:

CAS RN: 500-64-1
CAS Name: 4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
OPENEYE Name: 4-methoxy-2-[(E)-styryl]-2,3-dihydropyran-6-one
IUPAC Name: 4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
SYSTEMATIC NAME: 4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
MOLECULAR FORMULA: C14H14O3
MOLECULAR WEIGHT: 230.25916
SMILES: COC1=CC(=O)OC(C1)/C=C/C2=CC=CC=C2
Structure:

CAS RN: 1635-33-2
CAS Name: 4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
OPENEYE Name: 4-methoxy-2-[(E)-styryl]-2,3-dihydropyran-6-one
IUPAC Name: 4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
SYSTEMATIC NAME: 4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
MOLECULAR FORMULA: C14H14O3
MOLECULAR WEIGHT: 230.25916
SMILES: COC1=CC(=O)OC(C1)/C=C/C2=CC=CC=C2
Structure:

CAS RN: 40610-16-0
CAS Name: 4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
OPENEYE Name: 4-methoxy-2-[(E)-styryl]-2,3-dihydropyran-6-one
IUPAC Name: 4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
SYSTEMATIC NAME: 4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
MOLECULAR FORMULA: C14H14O3
MOLECULAR WEIGHT: 230.25916
SMILES: COC1=CC(=O)OC(C1)/C=C/C2=CC=CC=C2
Structure:

CAS RN: 128366-07-4
CAS Name: (3E)-3-[(cyclohexylamino)-hydroxymethylidene]-1H-quinoline-2,4-dione
OPENEYE Name: (3E)-3-[(cyclohexylamino)-hydroxy-methylene]-1H-quinoline-2,4-dione
IUPAC Name: (3E)-3-[(cyclohexylamino)-hydroxymethylidene]-1H-quinoline-2,4-dione
SYSTEMATIC NAME: (3E)-3-[(cyclohexylamino)-oxidanyl-methylidene]-1H-quinoline-2,4-dione
MOLECULAR FORMULA: C16H18N2O3
MOLECULAR WEIGHT: 286.32572
SMILES: C1CCC(CC1)N/C(=C\2/C(=O)C3=CC=CC=C3NC2=O)/O
Structure:

CAS RN: 87587-04-0
CAS Name: N-[(1E)-1-(1-hydroxy-2-pyridinylidene)ethyl]imino-1-azepanecarbothioamide
OPENEYE Name: N-[(1E)-1-(1-hydroxy-2-pyridylidene)ethyl]iminoazepane-1-carbothioamide
IUPAC Name: N-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]iminoazepane-1-carbothioamide
SYSTEMATIC NAME: N-[(1E)-1-(1-oxidanylpyridin-2-ylidene)ethyl]iminoazepane-1-carbothioamide
MOLECULAR FORMULA: C14H20N4OS
MOLECULAR WEIGHT: 292.3998
SMILES: C/C(=C\1/C=CC=CN1O)/N=NC(=S)N2CCCCCC2
Structure:

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