CAS RN: 46185-83-5
CAS Name: 2-ethoxyquinoline
OPENEYE Name: 2-ethoxyquinoline
IUPAC Name: 2-ethoxyquinoline
SYSTEMATIC NAME: 2-ethoxyquinoline
MOLECULAR FORMULA: C11H11NO
MOLECULAR WEIGHT: 173.21114
SMILES: CCOC1=NC2=CC=CC=C2C=C1
Structure:
CAS RN: 46030-99-3
CAS Name: 4,7-dimethylazulene
OPENEYE Name: 4,7-dimethylazulene
IUPAC Name: 4,7-dimethylazulene
SYSTEMATIC NAME: 4,7-dimethylazulene
MOLECULAR FORMULA: C12H12
MOLECULAR WEIGHT: 156.22368
SMILES: CC1=CC=C(C2=CC=CC2=C1)C
Structure:
CAS RN: 46010-98-4
CAS Name: 2,5-dichloro-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2,5-dichloro-3,6-dimethyl-1,4-benzoquinone
IUPAC Name: 2,5-dichloro-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2,5-bis(chloranyl)-3,6-dimethyl-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C8H6Cl2O2
MOLECULAR WEIGHT: 205.03804
SMILES: CC1=C(C(=O)C(=C(C1=O)Cl)C)Cl
Structure:
CAS RN: 45980-26-5
CAS Name: 4-tert-butyl-1-azabicyclo[2.2.2]octane
OPENEYE Name: 4-tert-butylquinuclidine
IUPAC Name: 4-tert-butyl-1-azabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-tert-butyl-1-azabicyclo[2.2.2]octane
MOLECULAR FORMULA: C11H21N
MOLECULAR WEIGHT: 167.29114
SMILES: CC(C)(C)C12CCN(CC1)CC2
Structure:
CAS RN: 45842-68-0
CAS Name: 4-propan-2-yl-1-azabicyclo[2.2.2]octane
OPENEYE Name: 4-isopropylquinuclidine
IUPAC Name: 4-propan-2-yl-1-azabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-propan-2-yl-1-azabicyclo[2.2.2]octane
MOLECULAR FORMULA: C10H19N
MOLECULAR WEIGHT: 153.26456
SMILES: CC(C)C12CCN(CC1)CC2
Structure:
CAS RN: 45732-65-8
CAS Name: 4-ethyl-1-azabicyclo[2.2.2]octane
OPENEYE Name: 4-ethylquinuclidine
IUPAC Name: 4-ethyl-1-azabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-ethyl-1-azabicyclo[2.2.2]octane
MOLECULAR FORMULA: C9H17N
MOLECULAR WEIGHT: 139.23798
SMILES: CCC12CCN(CC1)CC2
Structure:
CAS RN: 45676-04-8
CAS Name: 1-tert-butylimidazole
OPENEYE Name: 1-tert-butylimidazole
IUPAC Name: 1-tert-butylimidazole
SYSTEMATIC NAME: 1-tert-butylimidazole
MOLECULAR FORMULA: C7H12N2
MOLECULAR WEIGHT: 124.18358
SMILES: CC(C)(C)N1C=CN=C1
Structure:
CAS RN: 45651-41-0
CAS Name: 4-methyl-1-azabicyclo[2.2.2]octane
OPENEYE Name: 4-methylquinuclidine
IUPAC Name: 4-methyl-1-azabicyclo[2.2.2]octane
SYSTEMATIC NAME: 4-methyl-1-azabicyclo[2.2.2]octane
MOLECULAR FORMULA: C8H15N
MOLECULAR WEIGHT: 125.2114
SMILES: CC12CCN(CC1)CC2
Structure:
CAS RN: 45579-94-0
CAS Name: N,N-dideuterio-1-phenylmethanamine
OPENEYE Name: N,N-dideuterio-1-phenyl-methanamine
IUPAC Name: N,N-dideuterio-1-phenylmethanamine
SYSTEMATIC NAME: N,N-dideuterio-1-phenyl-methanamine
MOLECULAR FORMULA: C7H9N
MOLECULAR WEIGHT: 109.165384
SMILES: [2H]N([2H])CC1=CC=CC=C1
Structure:
CAS RN: 44804-88-8
CAS Name: 2-methylene-3-butenoic acid ethyl ester
OPENEYE Name: ethyl 2-methylenebut-3-enoate
IUPAC Name: ethyl 2-methylidenebut-3-enoate
SYSTEMATIC NAME: ethyl 2-methylidenebut-3-enoate
MOLECULAR FORMULA: C7H10O2
MOLECULAR WEIGHT: 126.1531
SMILES: CCOC(=O)C(=C)C=C
Structure:
CAS RN: 44513-62-4
CAS Name: 2-methyl-2-nitrosopropanenitrile
OPENEYE Name: 2-methyl-2-nitroso-propanenitrile
IUPAC Name: 2-methyl-2-nitrosopropanenitrile
SYSTEMATIC NAME: 2-methyl-2-nitroso-propanenitrile
MOLECULAR FORMULA: C4H6N2O
MOLECULAR WEIGHT: 98.10324
SMILES: CC(C)(C#N)N=O
Structure:
CAS RN: 43197-78-0
CAS Name: 3-chloro-3-methylhexane
OPENEYE Name: 3-chloro-3-methyl-hexane
IUPAC Name: 3-chloro-3-methylhexane
SYSTEMATIC NAME: 3-chloranyl-3-methyl-hexane
MOLECULAR FORMULA: C7H15Cl
MOLECULAR WEIGHT: 134.647
SMILES: CCCC(C)(CC)Cl
Structure:
CAS RN: 43195-77-3
CAS Name: 6,7-diazabicyclo[3.2.2]non-6-ene
OPENEYE Name: 6,7-diazabicyclo[3.2.2]non-6-ene
IUPAC Name: 6,7-diazabicyclo[3.2.2]non-6-ene
SYSTEMATIC NAME: 6,7-diazabicyclo[3.2.2]non-6-ene
MOLECULAR FORMULA: C7H12N2
MOLECULAR WEIGHT: 124.18358
SMILES: C1CC2CCC(C1)N=N2
Structure:
CAS RN: 43145-07-9
CAS Name: 1-(3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]methanimine
OPENEYE Name: 1-(3-pyridyl)-N-[3-(trifluoromethyl)phenyl]methanimine
IUPAC Name: 1-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]methanimine
SYSTEMATIC NAME: 1-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]methanimine
MOLECULAR FORMULA: C13H9F3N2
MOLECULAR WEIGHT: 250.21917
SMILES: C1=CC(=CC(=C1)N=CC2=CN=CC=C2)C(F)(F)F
Structure:
CAS RN: 70318-47-7
CAS Name: 1-(3-pyridinyl)-N-[3-(trifluoromethyl)phenyl]methanimine
OPENEYE Name: 1-(3-pyridyl)-N-[3-(trifluoromethyl)phenyl]methanimine
IUPAC Name: 1-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]methanimine
SYSTEMATIC NAME: 1-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]methanimine
MOLECULAR FORMULA: C13H9F3N2
MOLECULAR WEIGHT: 250.21917
SMILES: C1=CC(=CC(=C1)N=CC2=CN=CC=C2)C(F)(F)F
Structure:
CAS RN: 43120-22-5
CAS Name: 1-ethylindazole
OPENEYE Name: 1-ethylindazole
IUPAC Name: 1-ethylindazole
SYSTEMATIC NAME: 1-ethylindazole
MOLECULAR FORMULA: C9H10N2
MOLECULAR WEIGHT: 146.1891
SMILES: CCN1C2=CC=CC=C2C=N1
Structure:
CAS RN: 43111-32-6
CAS Name: 2-(3-chlorophenoxy)acetonitrile
OPENEYE Name: 2-(3-chlorophenoxy)acetonitrile
IUPAC Name: 2-(3-chlorophenoxy)acetonitrile
SYSTEMATIC NAME: 2-(3-chloranylphenoxy)ethanenitrile
MOLECULAR FORMULA: C8H6ClNO
MOLECULAR WEIGHT: 167.59234
SMILES: C1=CC(=CC(=C1)Cl)OCC#N
Structure:
CAS RN: 43072-20-4
CAS Name: N-methyl-N-(3-methyl-2,4,6-trinitrophenyl)nitramide
OPENEYE Name: N-methyl-N-(3-methyl-2,4,6-trinitro-phenyl)nitramide
IUPAC Name: N-methyl-N-(3-methyl-2,4,6-trinitrophenyl)nitramide
SYSTEMATIC NAME: N-methyl-N-(3-methyl-2,4,6-trinitro-phenyl)nitramide
MOLECULAR FORMULA: C8H7N5O8
MOLECULAR WEIGHT: 301.16988
SMILES: CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N(C)[N+](=O)[O-])[N+](=O)[O-]
Structure:
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