Wednesday, November 30, 2011

http://ChemLookup.com Compounds




CAS RN: 67781-04-8
CAS Name: (2Z)-2-[[2-(2-chloroethylthio)ethylamino]methylidene]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanone
OPENEYE Name: (3Z)-3-[[2-(2-chloroethylsulfanyl)ethylamino]methylene]-1,7,7-trimethyl-norbornan-2-one
IUPAC Name: (2Z)-2-[[2-(2-chloroethylsulfanyl)ethylamino]methylidene]-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one
SYSTEMATIC NAME: (2Z)-2-[[2-(2-chloroethylsulfanyl)ethylamino]methylidene]-4,7,7-trimethyl-bicyclo[2.2.1]heptan-3-one
MOLECULAR FORMULA: C15H24ClNOS
MOLECULAR WEIGHT: 301.87516
SMILES: CC1(C\2CCC1(C(=O)/C2=C\NCCSCCCl)C)C
Structure:

CAS RN: 67781-00-4
CAS Name: (3Z)-3-[bis(2-chloroethyl)aminomethylidene]-1-benzothiopyran-4-one
OPENEYE Name: (3Z)-3-[bis(2-chloroethyl)aminomethylene]thiochroman-4-one
IUPAC Name: (3Z)-3-[bis(2-chloroethyl)aminomethylidene]thiochromen-4-one
SYSTEMATIC NAME: (3Z)-3-[bis(2-chloroethyl)aminomethylidene]thiochromen-4-one
MOLECULAR FORMULA: C14H15Cl2NOS
MOLECULAR WEIGHT: 316.246
SMILES: C1/C(=C\N(CCCl)CCCl)/C(=O)C2=CC=CC=C2S1
Structure:

CAS RN: 67780-99-8
CAS Name: (2E)-2-[bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one
OPENEYE Name: (2E)-2-[bis(2-chloroethyl)aminomethylene]tetralin-1-one
IUPAC Name: (2E)-2-[bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one
SYSTEMATIC NAME: (2E)-2-[bis(2-chloroethyl)aminomethylidene]-3,4-dihydronaphthalen-1-one
MOLECULAR FORMULA: C15H17Cl2NO
MOLECULAR WEIGHT: 298.20758
SMILES: C1C/C(=C\N(CCCl)CCCl)/C(=O)C2=CC=CC=C21
Structure:

CAS RN: 67780-98-7
CAS Name: (3E)-3-[bis(2-chloroethyl)aminomethylidene]-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: (3E)-3-[bis(2-chloroethyl)aminomethylene]chroman-4-one
IUPAC Name: (3E)-3-[bis(2-chloroethyl)aminomethylidene]chromen-4-one
SYSTEMATIC NAME: (3E)-3-[bis(2-chloroethyl)aminomethylidene]chromen-4-one
MOLECULAR FORMULA: C14H15Cl2NO2
MOLECULAR WEIGHT: 300.1804
SMILES: C1/C(=C\N(CCCl)CCCl)/C(=O)C2=CC=CC=C2O1
Structure:

CAS RN: 67781-02-6
CAS Name: (2Z)-2-[bis(2-chloroethyl)aminomethylidene]-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanone
OPENEYE Name: (3Z)-3-[bis(2-chloroethyl)aminomethylene]-1,7,7-trimethyl-norbornan-2-one
IUPAC Name: (2Z)-2-[bis(2-chloroethyl)aminomethylidene]-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one
SYSTEMATIC NAME: (2Z)-2-[bis(2-chloroethyl)aminomethylidene]-4,7,7-trimethyl-bicyclo[2.2.1]heptan-3-one
MOLECULAR FORMULA: C15H23Cl2NO
MOLECULAR WEIGHT: 304.25522
SMILES: CC1(C\2CCC1(C(=O)/C2=C\N(CCCl)CCCl)C)C
Structure:

CAS RN: 30529-16-9
CAS Name: 4-[(E)-2-(1-ethenyl-5-nitro-2-imidazolyl)ethenyl]benzoic acid
OPENEYE Name: 4-[(E)-2-(5-nitro-1-vinyl-imidazol-2-yl)vinyl]benzoic acid
IUPAC Name: 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoic acid
SYSTEMATIC NAME: 4-[(E)-2-(1-ethenyl-5-nitro-imidazol-2-yl)ethenyl]benzoic acid
MOLECULAR FORMULA: C14H11N3O4
MOLECULAR WEIGHT: 285.25484
SMILES: C=CN1C(=CN=C1/C=C/C2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]
Structure:

CAS RN: 14806-50-9
CAS Name: (2Z)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole
OPENEYE Name: (2Z)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole
IUPAC Name: (2Z)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole
SYSTEMATIC NAME: (2Z)-3-ethyl-2-[(2E,4E)-5-(3-ethyl-1,3-benzoxazol-3-ium-2-yl)penta-2,4-dienylidene]-1,3-benzoxazole
MOLECULAR FORMULA: C23H23N2O2+
MOLECULAR WEIGHT: 359.44092
SMILES: CCN\1C2=CC=CC=C2O/C1=C\C=C\C=C\C3=[N+](C4=CC=CC=C4O3)CC
Structure:

CAS RN: 62414-95-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C34H45ClN2O11
MOLECULAR WEIGHT: 693.1809
SMILES: CC1C2CC(C(/C=C/C=C(\C(C3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)C)C)OC(=O)C)/C)OC)(NC(=O)O2)O
Structure:

CAS RN: 63783-94-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H38O11
MOLECULAR WEIGHT: 562.60542
SMILES: CC1=CC2C3(CC1O)COC(=O)C4C(O4)(C(COC(/C=C/C=C/C(=O)OC5C3(C6(CO6)C(C5)O2)C)C(C)O)O)C
Structure:

CAS RN: 63814-57-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H38O11
MOLECULAR WEIGHT: 562.60542
SMILES: CC1=CC2C3(CC1O)COC(=O)C4C(O4)(C(COC(/C=C/C=C/C(=O)OC5C3(C6(CO6)C(C5)O2)C)C(C)O)O)C
Structure:

CAS RN: 82040-74-2
CAS Name: 1-bromo-4,5-dimethoxy-2-[(E)-2-nitroethenyl]benzene
OPENEYE Name: 1-bromo-4,5-dimethoxy-2-[(E)-2-nitrovinyl]benzene
IUPAC Name: 1-bromo-4,5-dimethoxy-2-[(E)-2-nitroethenyl]benzene
SYSTEMATIC NAME: 1-bromanyl-4,5-dimethoxy-2-[(E)-2-nitroethenyl]benzene
MOLECULAR FORMULA: C10H10BrNO4
MOLECULAR WEIGHT: 288.0947
SMILES: COC1=C(C=C(C(=C1)/C=C/[N+](=O)[O-])Br)OC
Structure:

CAS RN: 32723-06-1
CAS Name: (2Z)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)acetic acid methyl ester
OPENEYE Name: methyl (2Z)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate
IUPAC Name: methyl (2Z)-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate
SYSTEMATIC NAME: methyl (2Z)-2-(6-chloranyl-3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)ethanoate
MOLECULAR FORMULA: C11H8ClNO3S
MOLECULAR WEIGHT: 269.70412
SMILES: COC(=O)/C=C\1/C(=O)NC2=C(S1)C=CC(=C2)Cl
Structure:

CAS RN: 70993-77-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H34O11
MOLECULAR WEIGHT: 534.55226
SMILES: C/C=C(\C)/C(=O)OC1C2C(=CC(=O)C(C2(C3C45C1OC(=O)C(C4C(C(C3(OC5)O)O)C)OC(=O)C)C)O)C
Structure:

CAS RN: 66302-66-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C39H46N4O2
MOLECULAR WEIGHT: 602.80814
SMILES: CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=CC(=C5)C6CC\7C(C(CC8=C6NC9=CC=CC=C89)NC/C7=C/C)C(=O)OC
Structure:

CAS RN: 85201-31-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24O4
MOLECULAR WEIGHT: 328.40216
SMILES: C/C/1=C/C2=CC(CC23C(=O)C(=C(O3)CC(/C=C\C1=O)(C)C)C)(C)O
Structure:

CAS RN: 85201-83-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H24O4
MOLECULAR WEIGHT: 328.40216
SMILES: C/C/1=C/C2=CC(CC23C(=O)C(=C(O3)CC(/C=C\C1=O)(C)C)C)(C)O
Structure:

CAS RN: 54255-33-3
CAS Name: (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetic acid methyl ester
OPENEYE Name: methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate
IUPAC Name: methyl (2Z)-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetate
SYSTEMATIC NAME: methyl (2Z)-2-(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)ethanoate
MOLECULAR FORMULA: C11H9NO3S
MOLECULAR WEIGHT: 235.25906
SMILES: COC(=O)/C=C\1/C(=O)NC2=CC=CC=C2S1
Structure:

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