CAS RN: 57449-44-2
CAS Name: nitric acid [4-(nitrooxymethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]methyl ester
OPENEYE Name: [4-(nitrooxymethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]methyl nitrate
IUPAC Name: [4-(nitrooxymethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]methyl nitrate
SYSTEMATIC NAME: [4-(nitrooxymethyl)-2-oxidanidyl-1,2,5-oxadiazol-2-ium-3-yl]methyl nitrate
MOLECULAR FORMULA: C4H4N4O8
MOLECULAR WEIGHT: 236.09656
SMILES: C(C1=NO[N+](=C1CO[N+](=O)[O-])[O-])O[N+](=O)[O-]
Structure:
CAS RN: 57449-43-1
CAS Name: nitric acid [4-(nitrooxymethyl)-1,2,5-oxadiazol-3-yl]methyl ester
OPENEYE Name: [4-(nitrooxymethyl)-1,2,5-oxadiazol-3-yl]methyl nitrate
IUPAC Name: [4-(nitrooxymethyl)-1,2,5-oxadiazol-3-yl]methyl nitrate
SYSTEMATIC NAME: [4-(nitrooxymethyl)-1,2,5-oxadiazol-3-yl]methyl nitrate
MOLECULAR FORMULA: C4H4N4O7
MOLECULAR WEIGHT: 220.09716
SMILES: C(C1=NON=C1CO[N+](=O)[O-])O[N+](=O)[O-]
Structure:
CAS RN: 57422-79-4
CAS Name: 10-methylacridophosphine
OPENEYE Name: 10-methylacridophosphine
IUPAC Name: 10-methylacridophosphine
SYSTEMATIC NAME: 10-methylacridophosphine
MOLECULAR FORMULA: C14H11P
MOLECULAR WEIGHT: 210.210901
SMILES: CC1=C2C=CC=CC2=PC3=CC=CC=C13
Structure:
CAS RN: 57409-52-6
CAS Name: 2-methyl-2-propyl-1-pentanol
OPENEYE Name: 2-methyl-2-propyl-pentan-1-ol
IUPAC Name: 2-methyl-2-propylpentan-1-ol
SYSTEMATIC NAME: 2-methyl-2-propyl-pentan-1-ol
MOLECULAR FORMULA: C9H20O
MOLECULAR WEIGHT: 144.2545
SMILES: CCCC(C)(CCC)CO
Structure:
CAS RN: 57392-55-9
CAS Name: 2,2,2-trichloroacetic acid 3-methylbutyl ester
OPENEYE Name: isopentyl 2,2,2-trichloroacetate
IUPAC Name: 3-methylbutyl 2,2,2-trichloroacetate
SYSTEMATIC NAME: 3-methylbutyl 2,2,2-tris(chloranyl)ethanoate
MOLECULAR FORMULA: C7H11Cl3O2
MOLECULAR WEIGHT: 233.52004
SMILES: CC(C)CCOC(=O)C(Cl)(Cl)Cl
Structure:
CAS RN: 57387-52-7
CAS Name: N-(2,6-dimethylphenyl)-1-(3-methylphenyl)methanimine
OPENEYE Name: N-(2,6-dimethylphenyl)-1-(m-tolyl)methanimine
IUPAC Name: N-(2,6-dimethylphenyl)-1-(3-methylphenyl)methanimine
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-1-(3-methylphenyl)methanimine
MOLECULAR FORMULA: C16H17N
MOLECULAR WEIGHT: 223.31288
SMILES: CC1=C(C(=CC=C1)C)N=CC2=CC(=CC=C2)C
Structure:
CAS RN: 57384-48-2
CAS Name: 1-pentyl-3,1-benzoxazine-2,4-dione
OPENEYE Name: 1-pentyl-3,1-benzoxazine-2,4-dione
IUPAC Name: 1-pentyl-3,1-benzoxazine-2,4-dione
SYSTEMATIC NAME: 1-pentyl-3,1-benzoxazine-2,4-dione
MOLECULAR FORMULA: C13H15NO3
MOLECULAR WEIGHT: 233.2631
SMILES: CCCCCN1C2=CC=CC=C2C(=O)OC1=O
Structure:
CAS RN: 57355-72-3
CAS Name: 4-octyn-2-ol
OPENEYE Name: oct-4-yn-2-ol
IUPAC Name: oct-4-yn-2-ol
SYSTEMATIC NAME: oct-4-yn-2-ol
MOLECULAR FORMULA: C8H14O
MOLECULAR WEIGHT: 126.19616
SMILES: CCCC#CCC(C)O
Structure:
CAS RN: 57342-48-0
CAS Name: 4,4-dimethylhexa-1,2,5-triene
OPENEYE Name: 4,4-dimethylhexa-1,2,5-triene
IUPAC Name: 4,4-dimethylhexa-1,2,5-triene
SYSTEMATIC NAME: 4,4-dimethylhexa-1,2,5-triene
MOLECULAR FORMULA: C8H12
MOLECULAR WEIGHT: 108.18088
SMILES: CC(C)(C=C)C=C=C
Structure:
CAS RN: 57319-74-1
CAS Name: 2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]-2-propenenitrile
OPENEYE Name: 2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
IUPAC Name: 2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
SYSTEMATIC NAME: 2-(1H-benzimidazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
MOLECULAR FORMULA: C18H16N4
MOLECULAR WEIGHT: 288.34644
SMILES: CN(C)C1=CC=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2
Structure:
CAS RN: 57302-15-5
CAS Name: 2-bromo-3-fluorobutane
OPENEYE Name: 2-bromo-3-fluoro-butane
IUPAC Name: 2-bromo-3-fluorobutane
SYSTEMATIC NAME: 2-bromanyl-3-fluoranyl-butane
MOLECULAR FORMULA: C4H8BrF
MOLECULAR WEIGHT: 155.008723
SMILES: CC(C(C)Br)F
Structure:
CAS RN: 57302-16-6
CAS Name: 2-bromo-3-fluorobutane
OPENEYE Name: 2-bromo-3-fluoro-butane
IUPAC Name: 2-bromo-3-fluorobutane
SYSTEMATIC NAME: 2-bromanyl-3-fluoranyl-butane
MOLECULAR FORMULA: C4H8BrF
MOLECULAR WEIGHT: 155.008723
SMILES: CC(C(C)Br)F
Structure:
CAS RN: 57297-57-1
CAS Name: 2,3-dimethylene-7-bicyclo[2.2.1]hept-5-enone
OPENEYE Name: 2,3-dimethylenebicyclo[2.2.1]hept-5-en-7-one
IUPAC Name: 2,3-dimethylidenebicyclo[2.2.1]hept-5-en-7-one
SYSTEMATIC NAME: 2,3-dimethylidenebicyclo[2.2.1]hept-5-en-7-one
MOLECULAR FORMULA: C9H8O
MOLECULAR WEIGHT: 132.15922
SMILES: C=C1C2C=CC(C1=C)C2=O
Structure:
CAS RN: 57297-56-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C12H14
MOLECULAR WEIGHT: 158.23956
SMILES: C=C1C2CCC(C1=C)C3C2C=C3
Structure:
CAS RN: 57261-64-0
CAS Name: (4-methyl-2-pyridinyl)-thiophen-2-ylmethanone
OPENEYE Name: (4-methyl-2-pyridyl)-(2-thienyl)methanone
IUPAC Name: (4-methylpyridin-2-yl)-thiophen-2-ylmethanone
SYSTEMATIC NAME: (4-methylpyridin-2-yl)-thiophen-2-yl-methanone
MOLECULAR FORMULA: C11H9NOS
MOLECULAR WEIGHT: 203.26026
SMILES: CC1=CC(=NC=C1)C(=O)C2=CC=CS2
Structure:
CAS RN: 57260-71-6
CAS Name: 1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl piperazine-1-carboxylate
IUPAC Name: tert-butyl piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl piperazine-1-carboxylate
MOLECULAR FORMULA: C9H18N2O2
MOLECULAR WEIGHT: 186.25142
SMILES: CC(C)(C)OC(=O)N1CCNCC1
Structure:
CAS RN: 143238-38-4
CAS Name: 1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl piperazine-1-carboxylate
IUPAC Name: tert-butyl piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl piperazine-1-carboxylate
MOLECULAR FORMULA: C9H18N2O2
MOLECULAR WEIGHT: 186.25142
SMILES: CC(C)(C)OC(=O)N1CCNCC1
Structure:
CAS RN: 57251-86-2
CAS Name: (sulfinylamino)silane
OPENEYE Name: (sulfinylamino)silane
IUPAC Name: (sulfinylamino)silane
SYSTEMATIC NAME: (sulfinylamino)silane
MOLECULAR FORMULA: H3NOSSi
MOLECULAR WEIGHT: 93.18042
SMILES: N(=S=O)[SiH3]
Structure:
CAS RN: 57239-03-9
CAS Name: 2,2,5,5-tetramethylbicyclo[2.2.1]heptane-3,6-dione
OPENEYE Name: 3,3,6,6-tetramethylnorbornane-2,5-dione
IUPAC Name: 2,2,5,5-tetramethylbicyclo[2.2.1]heptane-3,6-dione
SYSTEMATIC NAME: 2,2,5,5-tetramethylbicyclo[2.2.1]heptane-3,6-dione
MOLECULAR FORMULA: C11H16O2
MOLECULAR WEIGHT: 180.24354
SMILES: CC1(C2CC(C1=O)C(C2=O)(C)C)C
Structure:
CAS RN: 57212-57-4
CAS Name: 3-methylhexa-1,2,4,5-tetraene
OPENEYE Name: 3-methylhexa-1,2,4,5-tetraene
IUPAC Name: 3-methylhexa-1,2,4,5-tetraene
SYSTEMATIC NAME: 3-methylhexa-1,2,4,5-tetraene
MOLECULAR FORMULA: C7H8
MOLECULAR WEIGHT: 92.13842
SMILES: CC(=C=C)C=C=C
Structure:
CAS RN: 57137-41-4
CAS Name: 1,2-difluorocyclopropane
OPENEYE Name: 1,2-difluorocyclopropane
IUPAC Name: 1,2-difluorocyclopropane
SYSTEMATIC NAME: 1,2-bis(fluoranyl)cyclopropane
MOLECULAR FORMULA: C3H4F2
MOLECULAR WEIGHT: 78.060666
SMILES: C1C(C1F)F
Structure:
CAS RN: 57116-96-8
CAS Name: 2-isocyano-1,3,5-trimethylbenzene
OPENEYE Name: 2-isocyano-1,3,5-trimethyl-benzene
IUPAC Name: 2-isocyano-1,3,5-trimethylbenzene
SYSTEMATIC NAME: 2-isocyano-1,3,5-trimethyl-benzene
MOLECULAR FORMULA: C10H11N
MOLECULAR WEIGHT: 145.20104
SMILES: CC1=CC(=C(C(=C1)C)[N+]#[C-])C
Structure:
CAS RN: 57114-54-2
CAS Name: trimethyl(phenylimino)phosphorane
OPENEYE Name: trimethyl(phenylimino)-$l^{5}-phosphane
IUPAC Name: trimethyl(phenylimino)-$l^{5}-phosphane
SYSTEMATIC NAME: trimethyl(phenylimino)-$l^{5}-phosphane
MOLECULAR FORMULA: C9H14NP
MOLECULAR WEIGHT: 167.187921
SMILES: CP(=NC1=CC=CC=C1)(C)C
Structure:
CAS RN: 57094-35-6
CAS Name: 1,1-dimethoxy-3-methylbutane
OPENEYE Name: 1,1-dimethoxy-3-methyl-butane
IUPAC Name: 1,1-dimethoxy-3-methylbutane
SYSTEMATIC NAME: 1,1-dimethoxy-3-methyl-butane
MOLECULAR FORMULA: C7H16O2
MOLECULAR WEIGHT: 132.20074
SMILES: CC(C)CC(OC)OC
Structure:
CAS RN: 57070-95-8
CAS Name: 2-amino-1-cyclopentanol
OPENEYE Name: 2-aminocyclopentanol
IUPAC Name: 2-aminocyclopentan-1-ol
SYSTEMATIC NAME: 2-azanylcyclopentan-1-ol
MOLECULAR FORMULA: C5H11NO
MOLECULAR WEIGHT: 101.14694
SMILES: C1CC(C(C1)O)N
Structure:
CAS RN: 59260-76-3
CAS Name: 2-amino-1-cyclopentanol
OPENEYE Name: 2-aminocyclopentanol
IUPAC Name: 2-aminocyclopentan-1-ol
SYSTEMATIC NAME: 2-azanylcyclopentan-1-ol
MOLECULAR FORMULA: C5H11NO
MOLECULAR WEIGHT: 101.14694
SMILES: C1CC(C(C1)O)N
Structure:
CAS RN: 57070-90-3
CAS Name: 2-(dimethylamino)-3-bicyclo[2.2.1]heptanol
OPENEYE Name: 3-(dimethylamino)norbornan-2-ol
IUPAC Name: 2-(dimethylamino)bicyclo[2.2.1]heptan-3-ol
SYSTEMATIC NAME: 2-(dimethylamino)bicyclo[2.2.1]heptan-3-ol
MOLECULAR FORMULA: C9H17NO
MOLECULAR WEIGHT: 155.23738
SMILES: CN(C)C1C2CCC(C2)C1O
Structure:
CAS RN: 57128-85-5
CAS Name: 2-(dimethylamino)-3-bicyclo[2.2.1]heptanol
OPENEYE Name: 3-(dimethylamino)norbornan-2-ol
IUPAC Name: 2-(dimethylamino)bicyclo[2.2.1]heptan-3-ol
SYSTEMATIC NAME: 2-(dimethylamino)bicyclo[2.2.1]heptan-3-ol
MOLECULAR FORMULA: C9H17NO
MOLECULAR WEIGHT: 155.23738
SMILES: CN(C)C1C2CCC(C2)C1O
Structure:
CAS RN: 57026-52-5
CAS Name: 4-(2,6-diphenyl-4-seleninylidene)-2,6-diphenylselenin
OPENEYE Name: 4-(2,6-diphenylselenopyran-4-ylidene)-2,6-diphenyl-selenopyran
IUPAC Name: 4-(2,6-diphenylselenopyran-4-ylidene)-2,6-diphenylselenopyran
SYSTEMATIC NAME: 4-(2,6-diphenylselenopyran-4-ylidene)-2,6-diphenyl-selenopyran
MOLECULAR FORMULA: C34H24Se2
MOLECULAR WEIGHT: 590.47436
SMILES: C1=CC=C(C=C1)C2=CC(=C3C=C([Se]C(=C3)C4=CC=CC=C4)C5=CC=CC=C5)C=C([Se]2)C6=CC=CC=C6
Structure:
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