Saturday, July 28, 2012

http://ChemLookup.com Compounds




CAS RN: 105734-59-6
CAS Name: 3,3-dicyclopropylcyclopropane-1,1,2,2-tetracarbonitrile
OPENEYE Name: 3,3-dicyclopropylcyclopropane-1,1,2,2-tetracarbonitrile
IUPAC Name: 3,3-dicyclopropylcyclopropane-1,1,2,2-tetracarbonitrile
SYSTEMATIC NAME: 3,3-dicyclopropylcyclopropane-1,1,2,2-tetracarbonitrile
MOLECULAR FORMULA: C13H10N4
MOLECULAR WEIGHT: 222.2453
SMILES: C1CC1C2(C(C2(C#N)C#N)(C#N)C#N)C3CC3
Structure:

CAS RN: 2384-85-2
CAS Name: 3-phenylcyclopropane-1,1,2,2-tetracarbonitrile
OPENEYE Name: 3-phenylcyclopropane-1,1,2,2-tetracarbonitrile
IUPAC Name: 3-phenylcyclopropane-1,1,2,2-tetracarbonitrile
SYSTEMATIC NAME: 3-phenylcyclopropane-1,1,2,2-tetracarbonitrile
MOLECULAR FORMULA: C13H6N4
MOLECULAR WEIGHT: 218.21354
SMILES: C1=CC=C(C=C1)C2C(C2(C#N)C#N)(C#N)C#N
Structure:

CAS RN: 90771-89-4
CAS Name: 3-propylcyclopropane-1,1,2,2-tetracarbonitrile
OPENEYE Name: 3-propylcyclopropane-1,1,2,2-tetracarbonitrile
IUPAC Name: 3-propylcyclopropane-1,1,2,2-tetracarbonitrile
SYSTEMATIC NAME: 3-propylcyclopropane-1,1,2,2-tetracarbonitrile
MOLECULAR FORMULA: C10H8N4
MOLECULAR WEIGHT: 184.19732
SMILES: CCCC1C(C1(C#N)C#N)(C#N)C#N
Structure:

CAS RN: 13017-68-0
CAS Name: 3-ethyl-3-methylcyclopropane-1,1,2,2-tetracarbonitrile
OPENEYE Name: 3-ethyl-3-methyl-cyclopropane-1,1,2,2-tetracarbonitrile
IUPAC Name: 3-ethyl-3-methylcyclopropane-1,1,2,2-tetracarbonitrile
SYSTEMATIC NAME: 3-ethyl-3-methyl-cyclopropane-1,1,2,2-tetracarbonitrile
MOLECULAR FORMULA: C10H8N4
MOLECULAR WEIGHT: 184.19732
SMILES: CCC1(C(C1(C#N)C#N)(C#N)C#N)C
Structure:

CAS RN: 13043-10-2
CAS Name: 3-ethyl-3-methylcyclopropane-1,1,2,2-tetracarbonitrile
OPENEYE Name: 3-ethyl-3-methyl-cyclopropane-1,1,2,2-tetracarbonitrile
IUPAC Name: 3-ethyl-3-methylcyclopropane-1,1,2,2-tetracarbonitrile
SYSTEMATIC NAME: 3-ethyl-3-methyl-cyclopropane-1,1,2,2-tetracarbonitrile
MOLECULAR FORMULA: C10H8N4
MOLECULAR WEIGHT: 184.19732
SMILES: CCC1(C(C1(C#N)C#N)(C#N)C#N)C
Structure:

CAS RN: 936-87-8
CAS Name: 3,3-dimethylcyclopropane-1,2-dicarboxylic acid
OPENEYE Name: 3,3-dimethylcyclopropane-1,2-dicarboxylic acid
IUPAC Name: 3,3-dimethylcyclopropane-1,2-dicarboxylic acid
SYSTEMATIC NAME: 3,3-dimethylcyclopropane-1,2-dicarboxylic acid
MOLECULAR FORMULA: C7H10O4
MOLECULAR WEIGHT: 158.1519
SMILES: CC1(C(C1C(=O)O)C(=O)O)C
Structure:

CAS RN: 68517-11-3
CAS Name: 2-[amino(ethoxy)methylidene]propanedinitrile
OPENEYE Name: 2-[amino(ethoxy)methylene]propanedinitrile
IUPAC Name: 2-[amino(ethoxy)methylidene]propanedinitrile
SYSTEMATIC NAME: 2-[azanyl(ethoxy)methylidene]propanedinitrile
MOLECULAR FORMULA: C6H7N3O
MOLECULAR WEIGHT: 137.13928
SMILES: CCOC(=C(C#N)C#N)N
Structure:

CAS RN: 74305-72-9
CAS Name: 1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylphenyl)methyl]benzene
OPENEYE Name: 1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylphenyl)methyl]benzene
IUPAC Name: 1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylphenyl)methyl]benzene
SYSTEMATIC NAME: 1,2,3,4-tetramethyl-5-[(2,3,4,5-tetramethylphenyl)methyl]benzene
MOLECULAR FORMULA: C21H28
MOLECULAR WEIGHT: 280.44702
SMILES: CC1=CC(=C(C(=C1C)C)C)CC2=C(C(=C(C(=C2)C)C)C)C
Structure:

CAS RN: 94648-46-1
CAS Name: benzoic acid (1,1-dicyclopropyl-2-methylpropyl) ester
OPENEYE Name: (1,1-dicyclopropyl-2-methyl-propyl) benzoate
IUPAC Name: (1,1-dicyclopropyl-2-methylpropyl) benzoate
SYSTEMATIC NAME: (1,1-dicyclopropyl-2-methyl-propyl) benzoate
MOLECULAR FORMULA: C17H22O2
MOLECULAR WEIGHT: 258.35538
SMILES: CC(C)C(C1CC1)(C2CC2)OC(=O)C3=CC=CC=C3
Structure:

CAS RN: 21369-33-5
CAS Name: 5-aminospiro[2,7a-dihydro-1H-indene-7,1'-cyclopentane]-4,6,6-tricarbonitrile
OPENEYE Name: 5-aminospiro[2,7a-dihydro-1H-indene-7,1'-cyclopentane]-4,6,6-tricarbonitrile
IUPAC Name: 5-aminospiro[2,7a-dihydro-1H-indene-7,1'-cyclopentane]-4,6,6-tricarbonitrile
SYSTEMATIC NAME: 5-azanylspiro[2,7a-dihydro-1H-indene-7,1'-cyclopentane]-4,6,6-tricarbonitrile
MOLECULAR FORMULA: C16H16N4
MOLECULAR WEIGHT: 264.32504
SMILES: C1CCC2(C1)C3CCC=C3C(=C(C2(C#N)C#N)N)C#N
Structure:

CAS RN: 10443-62-6
CAS Name: 2-[1-(2-naphthalenyl)ethylidene]propanedinitrile
OPENEYE Name: 2-[1-(2-naphthyl)ethylidene]propanedinitrile
IUPAC Name: 2-(1-naphthalen-2-ylethylidene)propanedinitrile
SYSTEMATIC NAME: 2-(1-naphthalen-2-ylethylidene)propanedinitrile
MOLECULAR FORMULA: C15H10N2
MOLECULAR WEIGHT: 218.2533
SMILES: CC(=C(C#N)C#N)C1=CC2=CC=CC=C2C=C1
Structure:

CAS RN: 24543-21-3
CAS Name: 1,2,2-tricyano-3,3-diethyl-1-cyclopropanecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1,2,2-tricyano-3,3-diethyl-cyclopropanecarboxylate
IUPAC Name: ethyl 1,2,2-tricyano-3,3-diethylcyclopropane-1-carboxylate
SYSTEMATIC NAME: ethyl 1,2,2-tricyano-3,3-diethyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C13H15N3O2
MOLECULAR WEIGHT: 245.2771
SMILES: CCC1(C(C1(C#N)C(=O)OCC)(C#N)C#N)CC
Structure:

CAS RN: 14063-00-4
CAS Name: 2,4-dioxo-6-phenyl-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
OPENEYE Name: 2,4-dioxo-6-phenyl-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
IUPAC Name: 2,4-dioxo-6-phenyl-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
SYSTEMATIC NAME: 2,4-bis(oxidanylidene)-6-phenyl-3-azabicyclo[3.1.0]hexane-1,5-dicarbonitrile
MOLECULAR FORMULA: C13H7N3O2
MOLECULAR WEIGHT: 237.21358
SMILES: C1=CC=C(C=C1)C2C3(C2(C(=O)NC3=O)C#N)C#N
Structure:

CAS RN: 17432-38-1
CAS Name: 2,3,4,5,6-pentamethylbenzaldehyde
OPENEYE Name: 2,3,4,5,6-pentamethylbenzaldehyde
IUPAC Name: 2,3,4,5,6-pentamethylbenzaldehyde
SYSTEMATIC NAME: 2,3,4,5,6-pentamethylbenzaldehyde
MOLECULAR FORMULA: C12H16O
MOLECULAR WEIGHT: 176.25484
SMILES: CC1=C(C(=C(C(=C1C)C)C=O)C)C
Structure:

CAS RN: 6590-36-9
CAS Name: 2,3,4,5-tetramethyl-7-bicyclo[4.2.0]octa-1,3,5-trienone
OPENEYE Name: 2,3,4,5-tetramethylbicyclo[4.2.0]octa-1,3,5-trien-7-one
IUPAC Name: 2,3,4,5-tetramethylbicyclo[4.2.0]octa-1,3,5-trien-7-one
SYSTEMATIC NAME: 2,3,4,5-tetramethylbicyclo[4.2.0]octa-1,3,5-trien-7-one
MOLECULAR FORMULA: C12H14O
MOLECULAR WEIGHT: 174.23896
SMILES: CC1=C(C2=C(C(=C1C)C)C(=O)C2)C
Structure:

CAS RN: 24653-40-5
CAS Name: 1,2,2-tricyano-3-ethyl-3-methyl-1-cyclopropanecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1,2,2-tricyano-3-ethyl-3-methyl-cyclopropanecarboxylate
IUPAC Name: ethyl 1,2,2-tricyano-3-ethyl-3-methylcyclopropane-1-carboxylate
SYSTEMATIC NAME: ethyl 1,2,2-tricyano-3-ethyl-3-methyl-cyclopropane-1-carboxylate
MOLECULAR FORMULA: C12H13N3O2
MOLECULAR WEIGHT: 231.25052
SMILES: CCC1(C(C1(C#N)C(=O)OCC)(C#N)C#N)C
Structure:

CAS RN: 30481-45-9
CAS Name: 2-amino-4,6,6-trimethylcyclohexa-2,4-diene-1,1,3-tricarbonitrile
OPENEYE Name: 2-amino-4,6,6-trimethyl-cyclohexa-2,4-diene-1,1,3-tricarbonitrile
IUPAC Name: 2-amino-4,6,6-trimethylcyclohexa-2,4-diene-1,1,3-tricarbonitrile
SYSTEMATIC NAME: 2-azanyl-4,6,6-trimethyl-cyclohexa-2,4-diene-1,1,3-tricarbonitrile
MOLECULAR FORMULA: C12H12N4
MOLECULAR WEIGHT: 212.25048
SMILES: CC1=CC(C(C(=C1C#N)N)(C#N)C#N)(C)C
Structure:

CAS RN: 307339-62-4
CAS Name: 2-amino-4,6,6-trimethylcyclohexa-2,4-diene-1,1,3-tricarbonitrile
OPENEYE Name: 2-amino-4,6,6-trimethyl-cyclohexa-2,4-diene-1,1,3-tricarbonitrile
IUPAC Name: 2-amino-4,6,6-trimethylcyclohexa-2,4-diene-1,1,3-tricarbonitrile
SYSTEMATIC NAME: 2-azanyl-4,6,6-trimethyl-cyclohexa-2,4-diene-1,1,3-tricarbonitrile
MOLECULAR FORMULA: C12H12N4
MOLECULAR WEIGHT: 212.25048
SMILES: CC1=CC(C(C(=C1C#N)N)(C#N)C#N)(C)C
Structure:

CAS RN: 92577-31-6
CAS Name: 3-methyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1,5-dicarbonitrile
OPENEYE Name: 3-methyl-2,4-dioxo-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1,5-dicarbonitrile
IUPAC Name: 3-methyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1,5-dicarbonitrile
SYSTEMATIC NAME: 3-methyl-2,4-bis(oxidanylidene)spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-1,5-dicarbonitrile
MOLECULAR FORMULA: C12H11N3O2
MOLECULAR WEIGHT: 229.23464
SMILES: CN1C(=O)C2(C3(C2(C1=O)C#N)CCCC3)C#N
Structure:

CAS RN: 100-90-3
CAS Name: (1-methoxycyclobutyl)benzene
OPENEYE Name: (1-methoxycyclobutyl)benzene
IUPAC Name: (1-methoxycyclobutyl)benzene
SYSTEMATIC NAME: (1-methoxycyclobutyl)benzene
MOLECULAR FORMULA: C11H14O
MOLECULAR WEIGHT: 162.22826
SMILES: COC1(CCC1)C2=CC=CC=C2
Structure:

CAS RN: 6945-71-7
CAS Name: 1-(4-cyclopropylphenyl)ethanone
OPENEYE Name: 1-(4-cyclopropylphenyl)ethanone
IUPAC Name: 1-(4-cyclopropylphenyl)ethanone
SYSTEMATIC NAME: 1-(4-cyclopropylphenyl)ethanone
MOLECULAR FORMULA: C11H12O
MOLECULAR WEIGHT: 160.21238
SMILES: CC(=O)C1=CC=C(C=C1)C2CC2
Structure:

CAS RN: 94485-93-5
CAS Name: 1-carbamoyl-2,4-dioxo-5-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]carboxylic acid
OPENEYE Name: 1-carbamoyl-2,4-dioxo-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-5-carboxylic acid
IUPAC Name: 1-carbamoyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-5-carboxylic acid
SYSTEMATIC NAME: 1-aminocarbonyl-2,4-bis(oxidanylidene)spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-5-carboxylic acid
MOLECULAR FORMULA: C11H12N2O5
MOLECULAR WEIGHT: 252.22338
SMILES: C1CCC2(C1)C3(C2(C(=O)NC3=O)C(=O)O)C(=O)N
Structure:

CAS RN: 96226-12-9
CAS Name: 1-carbamoyl-2,4-dioxo-5-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]carboxylic acid
OPENEYE Name: 1-carbamoyl-2,4-dioxo-spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-5-carboxylic acid
IUPAC Name: 1-carbamoyl-2,4-dioxospiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-5-carboxylic acid
SYSTEMATIC NAME: 1-aminocarbonyl-2,4-bis(oxidanylidene)spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopentane]-5-carboxylic acid
MOLECULAR FORMULA: C11H12N2O5
MOLECULAR WEIGHT: 252.22338
SMILES: C1CCC2(C1)C3(C2(C(=O)NC3=O)C(=O)O)C(=O)N
Structure:

CAS RN: 31317-42-7
CAS Name: 2-[1-(4-chlorophenyl)ethylidene]propanedinitrile
OPENEYE Name: 2-[1-(4-chlorophenyl)ethylidene]propanedinitrile
IUPAC Name: 2-[1-(4-chlorophenyl)ethylidene]propanedinitrile
SYSTEMATIC NAME: 2-[1-(4-chlorophenyl)ethylidene]propanedinitrile
MOLECULAR FORMULA: C11H7ClN2
MOLECULAR WEIGHT: 202.63968
SMILES: CC(=C(C#N)C#N)C1=CC=C(C=C1)Cl
Structure:

CAS RN: 51200-83-0
CAS Name: 2,4-dimethyl-3-propan-2-yl-3-pentanol
OPENEYE Name: 3-isopropyl-2,4-dimethyl-pentan-3-ol
IUPAC Name: 2,4-dimethyl-3-propan-2-ylpentan-3-ol
SYSTEMATIC NAME: 2,4-dimethyl-3-propan-2-yl-pentan-3-ol
MOLECULAR FORMULA: C10H22O
MOLECULAR WEIGHT: 158.28108
SMILES: CC(C)C(C(C)C)(C(C)C)O
Structure:

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