CAS RN: 21988-59-0
CAS Name: 2-ethylimino-2-phenylacetonitrile
OPENEYE Name: N-ethylbenzimidoyl cyanide
IUPAC Name: N-ethylbenzenecarboximidoyl cyanide
SYSTEMATIC NAME: 2-ethylimino-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C10H10N2
MOLECULAR WEIGHT: 158.1998
SMILES: CCN=C(C#N)C1=CC=CC=C1
Structure:
CAS RN: 55592-85-3
CAS Name: 1-methyl-2-(2-methyl-6-nitrophenyl)-3-nitrobenzene
OPENEYE Name: 1-methyl-2-(2-methyl-6-nitro-phenyl)-3-nitro-benzene
IUPAC Name: 1-methyl-2-(2-methyl-6-nitrophenyl)-3-nitrobenzene
SYSTEMATIC NAME: 1-methyl-2-(2-methyl-6-nitro-phenyl)-3-nitro-benzene
MOLECULAR FORMULA: C14H12N2O4
MOLECULAR WEIGHT: 272.25608
SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])C2=C(C=CC=C2[N+](=O)[O-])C
Structure:
CAS RN: 47038-49-3
CAS Name: 2-(2-amino-6-fluoro-3,5-dimethylphenyl)-3-fluoro-4,6-dimethylaniline
OPENEYE Name: 2-(2-amino-6-fluoro-3,5-dimethyl-phenyl)-3-fluoro-4,6-dimethyl-aniline
IUPAC Name: 2-(2-amino-6-fluoro-3,5-dimethylphenyl)-3-fluoro-4,6-dimethylaniline
SYSTEMATIC NAME: 2-(2-azanyl-6-fluoranyl-3,5-dimethyl-phenyl)-3-fluoranyl-4,6-dimethyl-aniline
MOLECULAR FORMULA: C16H18F2N2
MOLECULAR WEIGHT: 276.324326
SMILES: CC1=CC(=C(C(=C1N)C2=C(C(=CC(=C2F)C)C)N)F)C
Structure:
CAS RN: 57338-76-8
CAS Name: 2,5-dimethyl-1H-pyrrole-3-carboxylic acid
OPENEYE Name: 2,5-dimethyl-1H-pyrrole-3-carboxylic acid
IUPAC Name: 2,5-dimethyl-1H-pyrrole-3-carboxylic acid
SYSTEMATIC NAME: 2,5-dimethyl-1H-pyrrole-3-carboxylic acid
MOLECULAR FORMULA: C7H9NO2
MOLECULAR WEIGHT: 139.15186
SMILES: CC1=CC(=C(N1)C)C(=O)O
Structure:
CAS RN: 92028-57-4
CAS Name: 2-(2,5-dimethyl-1-pyrrolyl)benzoic acid
OPENEYE Name: 2-(2,5-dimethylpyrrol-1-yl)benzoic acid
IUPAC Name: 2-(2,5-dimethylpyrrol-1-yl)benzoic acid
SYSTEMATIC NAME: 2-(2,5-dimethylpyrrol-1-yl)benzoic acid
MOLECULAR FORMULA: C13H13NO2
MOLECULAR WEIGHT: 215.24782
SMILES: CC1=CC=C(N1C2=CC=CC=C2C(=O)O)C
Structure:
CAS RN: 3807-56-5
CAS Name: 2,5-dimethyl-1-phenyl-3-pyrrolecarboxylic acid
OPENEYE Name: 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid
IUPAC Name: 2,5-dimethyl-1-phenylpyrrole-3-carboxylic acid
SYSTEMATIC NAME: 2,5-dimethyl-1-phenyl-pyrrole-3-carboxylic acid
MOLECULAR FORMULA: C13H13NO2
MOLECULAR WEIGHT: 215.24782
SMILES: CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)O
Structure:
CAS RN: 5720-01-4
CAS Name: 2-(3-quinolinyl)quinoline
OPENEYE Name: 2-(3-quinolyl)quinoline
IUPAC Name: 2-quinolin-3-ylquinoline
SYSTEMATIC NAME: 2-quinolin-3-ylquinoline
MOLECULAR FORMULA: C18H12N2
MOLECULAR WEIGHT: 256.30128
SMILES: C1=CC=C2C(=C1)C=CC(=N2)C3=CC4=CC=CC=C4N=C3
Structure:
CAS RN: 17136-56-0
CAS Name: 2-amino-3-(hydroxyamino)propanoic acid
OPENEYE Name: 2-amino-3-(hydroxyamino)propanoic acid
IUPAC Name: 2-amino-3-(hydroxyamino)propanoic acid
SYSTEMATIC NAME: 2-azanyl-3-(oxidanylamino)propanoic acid
MOLECULAR FORMULA: C3H8N2O3
MOLECULAR WEIGHT: 120.10722
SMILES: C(C(C(=O)O)N)NO
Structure:
CAS RN: 26513-20-2
CAS Name: N3,N3-diethylbenzene-1,3-diamine
OPENEYE Name: N3,N3-diethylbenzene-1,3-diamine
IUPAC Name: 3-N,3-N-diethylbenzene-1,3-diamine
SYSTEMATIC NAME: N3,N3-diethylbenzene-1,3-diamine
MOLECULAR FORMULA: C10H16N2
MOLECULAR WEIGHT: 164.24744
SMILES: CCN(CC)C1=CC=CC(=C1)N
Structure:
CAS RN: 39622-79-2
CAS Name: 2-aminobenzene-1,3-dicarboxylic acid
OPENEYE Name: 2-aminobenzene-1,3-dicarboxylic acid
IUPAC Name: 2-aminobenzene-1,3-dicarboxylic acid
SYSTEMATIC NAME: 2-azanylbenzene-1,3-dicarboxylic acid
MOLECULAR FORMULA: C8H7NO4
MOLECULAR WEIGHT: 181.14548
SMILES: C1=CC(=C(C(=C1)C(=O)O)N)C(=O)O
Structure:
CAS RN: 51226-14-3
CAS Name: 3-(2-methyl-1,3-dioxolan-2-yl)aniline
OPENEYE Name: 3-(2-methyl-1,3-dioxolan-2-yl)aniline
IUPAC Name: 3-(2-methyl-1,3-dioxolan-2-yl)aniline
SYSTEMATIC NAME: 3-(2-methyl-1,3-dioxolan-2-yl)aniline
MOLECULAR FORMULA: C10H13NO2
MOLECULAR WEIGHT: 179.21572
SMILES: CC1(OCCO1)C2=CC(=CC=C2)N
Structure:
CAS RN: 32812-35-4
CAS Name: 1-(2-furanylmethyl)pyrrole-2,5-dione
OPENEYE Name: 1-(2-furylmethyl)pyrrole-2,5-dione
IUPAC Name: 1-(furan-2-ylmethyl)pyrrole-2,5-dione
SYSTEMATIC NAME: 1-(furan-2-ylmethyl)pyrrole-2,5-dione
MOLECULAR FORMULA: C9H7NO3
MOLECULAR WEIGHT: 177.15678
SMILES: C1=COC(=C1)CN2C(=O)C=CC2=O
Structure:
CAS RN: 92518-14-4
CAS Name: 2-methyl-2-(2-methylpentan-2-yldisulfanyl)pentane
OPENEYE Name: 2-(1,1-dimethylbutyldisulfanyl)-2-methyl-pentane
IUPAC Name: 2-methyl-2-(2-methylpentan-2-yldisulfanyl)pentane
SYSTEMATIC NAME: 2-methyl-2-(2-methylpentan-2-yldisulfanyl)pentane
MOLECULAR FORMULA: C12H26S2
MOLECULAR WEIGHT: 234.46484
SMILES: CCCC(C)(C)SSC(C)(C)CCC
Structure:
CAS RN: 94247-12-8
CAS Name: 2-methyl-2-(2-methylpentan-2-yldisulfanyl)pentane
OPENEYE Name: 2-(1,1-dimethylbutyldisulfanyl)-2-methyl-pentane
IUPAC Name: 2-methyl-2-(2-methylpentan-2-yldisulfanyl)pentane
SYSTEMATIC NAME: 2-methyl-2-(2-methylpentan-2-yldisulfanyl)pentane
MOLECULAR FORMULA: C12H26S2
MOLECULAR WEIGHT: 234.46484
SMILES: CCCC(C)(C)SSC(C)(C)CCC
Structure:
CAS RN: 4298-71-9
CAS Name: (2,4-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol
OPENEYE Name: (2,4-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol
IUPAC Name: (2,4-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol
SYSTEMATIC NAME: (2,4-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol
MOLECULAR FORMULA: C18H22O
MOLECULAR WEIGHT: 254.36668
SMILES: CC1=CC(=C(C=C1)C(C2=C(C=C(C=C2C)C)C)O)C
Structure:
CAS RN: 33440-64-1
CAS Name: N-[4-(methanesulfonamido)phenyl]methanesulfonamide
OPENEYE Name: N-[4-(methanesulfonamido)phenyl]methanesulfonamide
IUPAC Name: N-[4-(methanesulfonamido)phenyl]methanesulfonamide
SYSTEMATIC NAME: N-[4-(methylsulfonylamino)phenyl]methanesulfonamide
MOLECULAR FORMULA: C8H12N2O4S2
MOLECULAR WEIGHT: 264.32188
SMILES: CS(=O)(=O)NC1=CC=C(C=C1)NS(=O)(=O)C
Structure:
CAS RN: 7717-29-5
CAS Name: 1-(2-methoxyphenyl)-3-(4-propan-2-ylphenyl)urea
OPENEYE Name: 1-(4-isopropylphenyl)-3-(2-methoxyphenyl)urea
IUPAC Name: 1-(2-methoxyphenyl)-3-(4-propan-2-ylphenyl)urea
SYSTEMATIC NAME: 1-(2-methoxyphenyl)-3-(4-propan-2-ylphenyl)urea
MOLECULAR FORMULA: C17H20N2O2
MOLECULAR WEIGHT: 284.3529
SMILES: CC(C)C1=CC=C(C=C1)NC(=O)NC2=CC=CC=C2OC
Structure:
CAS RN: 14457-87-5
CAS Name: tribromocerium
OPENEYE Name: tribromocerium
IUPAC Name: tribromocerium
SYSTEMATIC NAME: tris(bromanyl)cerium
MOLECULAR FORMULA: Br3Ce
MOLECULAR WEIGHT: 379.828
SMILES: Br[Ce](Br)Br
Structure:
CAS RN: 37230-85-6
CAS Name: dioxohafnium
OPENEYE Name: dioxohafnium
IUPAC Name: dioxohafnium
SYSTEMATIC NAME: bis(oxidanylidene)hafnium
MOLECULAR FORMULA: HfO2
MOLECULAR WEIGHT: 210.4888
SMILES: O=[Hf]=O
Structure:
CAS RN: 27808-52-2
CAS Name: 1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium
OPENEYE Name: 1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium
IUPAC Name: 1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium
SYSTEMATIC NAME: 1-oxidanidyl-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium
MOLECULAR FORMULA: C5H3N3O2
MOLECULAR WEIGHT: 137.09622
SMILES: C1=CC2=[N+](ON=C2N=C1)[O-]
Structure:
CAS RN: 27976-14-3
CAS Name: 1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium
OPENEYE Name: 1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium
IUPAC Name: 1-oxido-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium
SYSTEMATIC NAME: 1-oxidanidyl-[1,2,5]oxadiazolo[3,4-b]pyridin-1-ium
MOLECULAR FORMULA: C5H3N3O2
MOLECULAR WEIGHT: 137.09622
SMILES: C1=CC2=[N+](ON=C2N=C1)[O-]
Structure:
CAS RN: 39489-93-5
CAS Name: 2-(hydroxymethyl)-5-[7-[(4-nitrophenyl)methylseleno]-2H-pyrazolo[4,3-d]pyrimidin-3-yl]oxolane-3,4-diol
OPENEYE Name: 2-(hydroxymethyl)-5-[7-[(4-nitrophenyl)methylselanyl]-2H-pyrazolo[4,3-d]pyrimidin-3-yl]tetrahydrofuran-3,4-diol
IUPAC Name: 2-(hydroxymethyl)-5-[7-[(4-nitrophenyl)methylselanyl]-2H-pyrazolo[4,3-d]pyrimidin-3-yl]oxolane-3,4-diol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-[7-[(4-nitrophenyl)methylselanyl]-2H-pyrazolo[4,3-d]pyrimidin-3-yl]oxolane-3,4-diol
MOLECULAR FORMULA: C17H17N5O6Se
MOLECULAR WEIGHT: 466.30678
SMILES: C1=CC(=CC=C1C[Se]C2=NC=NC3=C(NN=C32)C4C(C(C(O4)CO)O)O)[N+](=O)[O-]
Structure:
CAS RN: 36519-16-1
CAS Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1H-imidazo[4,5-d]triazin-4-one
OPENEYE Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-imidazo[4,5-d]triazin-4-one
IUPAC Name: 7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazo[4,5-d]triazin-4-one
SYSTEMATIC NAME: 7-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-imidazo[4,5-d][1,2,3]triazin-4-one
MOLECULAR FORMULA: C9H11N5O5
MOLECULAR WEIGHT: 269.21414
SMILES: C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NN=NC2=O
Structure:
CAS RN: 7605-48-3
CAS Name: 1-tert-butyl-4-[(4-tert-butylphenyl)disulfanyl]benzene
OPENEYE Name: 1-tert-butyl-4-[(4-tert-butylphenyl)disulfanyl]benzene
IUPAC Name: 1-tert-butyl-4-[(4-tert-butylphenyl)disulfanyl]benzene
SYSTEMATIC NAME: 1-tert-butyl-4-[(4-tert-butylphenyl)disulfanyl]benzene
MOLECULAR FORMULA: C20H26S2
MOLECULAR WEIGHT: 330.55044
SMILES: CC(C)(C)C1=CC=C(C=C1)SSC2=CC=C(C=C2)C(C)(C)C
Structure:
CAS RN: 26730-20-1
CAS Name: 7-methylhexadecane
OPENEYE Name: 7-methylhexadecane
IUPAC Name: 7-methylhexadecane
SYSTEMATIC NAME: 7-methylhexadecane
MOLECULAR FORMULA: C17H36
MOLECULAR WEIGHT: 240.46774
SMILES: CCCCCCCCCC(C)CCCCCC
Structure:
CAS RN: 5096-94-6
CAS Name: [cyclohexyl(phenyl)methyl]benzene
OPENEYE Name: [cyclohexyl(phenyl)methyl]benzene
IUPAC Name: [cyclohexyl(phenyl)methyl]benzene
SYSTEMATIC NAME: [cyclohexyl(phenyl)methyl]benzene
MOLECULAR FORMULA: C19H22
MOLECULAR WEIGHT: 250.37798
SMILES: C1CCC(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 28945-89-3
CAS Name: 3-(3-ethoxyphenyl)propanoic acid
OPENEYE Name: 3-(3-ethoxyphenyl)propanoic acid
IUPAC Name: 3-(3-ethoxyphenyl)propanoic acid
SYSTEMATIC NAME: 3-(3-ethoxyphenyl)propanoic acid
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: CCOC1=CC=CC(=C1)CCC(=O)O
Structure:
CAS RN: 93570-87-7
CAS Name: [4-(difluoromethoxy)phenyl]-(1-piperidinyl)methanone
OPENEYE Name: [4-(difluoromethoxy)phenyl]-(1-piperidyl)methanone
IUPAC Name: [4-(difluoromethoxy)phenyl]-piperidin-1-ylmethanone
SYSTEMATIC NAME: [4-[bis(fluoranyl)methoxy]phenyl]-piperidin-1-yl-methanone
MOLECULAR FORMULA: C13H15F2NO2
MOLECULAR WEIGHT: 255.260506
SMILES: C1CCN(CC1)C(=O)C2=CC=C(C=C2)OC(F)F
Structure:
CAS RN: 55548-41-9
CAS Name: 2-(4-morpholinyl)-1-phenyl-2-sulfanylideneethanone
OPENEYE Name: 2-morpholino-1-phenyl-2-thioxo-ethanone
IUPAC Name: 2-morpholin-4-yl-1-phenyl-2-sulfanylideneethanone
SYSTEMATIC NAME: 2-morpholin-4-yl-1-phenyl-2-sulfanylidene-ethanone
MOLECULAR FORMULA: C12H13NO2S
MOLECULAR WEIGHT: 235.30212
SMILES: C1COCCN1C(=S)C(=O)C2=CC=CC=C2
Structure:
CAS RN: 62507-86-2
CAS Name: 3-(4-methylphenoxy)benzoic acid
OPENEYE Name: 3-(4-methylphenoxy)benzoic acid
IUPAC Name: 3-(4-methylphenoxy)benzoic acid
SYSTEMATIC NAME: 3-(4-methylphenoxy)benzoic acid
MOLECULAR FORMULA: C14H12O3
MOLECULAR WEIGHT: 228.24328
SMILES: CC1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)O
Structure:
CAS RN: 58755-70-7
CAS Name: 1-iodo-4-methoxy-2-nitrobenzene
OPENEYE Name: 1-iodo-4-methoxy-2-nitro-benzene
IUPAC Name: 1-iodo-4-methoxy-2-nitrobenzene
SYSTEMATIC NAME: 1-iodanyl-4-methoxy-2-nitro-benzene
MOLECULAR FORMULA: C7H6INO3
MOLECULAR WEIGHT: 279.03191
SMILES: COC1=CC(=C(C=C1)I)[N+](=O)[O-]
Structure:
CAS RN: 20788-42-5
CAS Name: 1-chloro-2-prop-2-enoxybenzene
OPENEYE Name: 1-allyloxy-2-chloro-benzene
IUPAC Name: 1-chloro-2-prop-2-enoxybenzene
SYSTEMATIC NAME: 1-chloranyl-2-prop-2-enoxy-benzene
MOLECULAR FORMULA: C9H9ClO
MOLECULAR WEIGHT: 168.62016
SMILES: C=CCOC1=CC=CC=C1Cl
Structure:
CAS RN: 40106-13-6
CAS Name: 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
IUPAC Name: ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
SYSTEMATIC NAME: ethyl 2-azanyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
MOLECULAR FORMULA: C12H17NO2S
MOLECULAR WEIGHT: 239.33388
SMILES: CCOC(=O)C1=C(SC2=C1CCCCC2)N
Structure:
CAS RN: 36034-62-5
CAS Name: 3-(3,5-dimethylanilino)propanenitrile
OPENEYE Name: 3-(3,5-dimethylanilino)propanenitrile
IUPAC Name: 3-(3,5-dimethylanilino)propanenitrile
SYSTEMATIC NAME: 3-[(3,5-dimethylphenyl)amino]propanenitrile
MOLECULAR FORMULA: C11H14N2
MOLECULAR WEIGHT: 174.24226
SMILES: CC1=CC(=CC(=C1)NCCC#N)C
Structure:
CAS RN: 3625-46-5
CAS Name: 3-(3,5-dimethylanilino)propanenitrile
OPENEYE Name: 3-(3,5-dimethylanilino)propanenitrile
IUPAC Name: 3-(3,5-dimethylanilino)propanenitrile
SYSTEMATIC NAME: 3-[(3,5-dimethylphenyl)amino]propanenitrile
MOLECULAR FORMULA: C11H14N2
MOLECULAR WEIGHT: 174.24226
SMILES: CC1=CC(=CC(=C1)NCCC#N)C
Structure:
CAS RN: 6064-42-2
CAS Name: 7-heptadecanone
OPENEYE Name: heptadecan-7-one
IUPAC Name: heptadecan-7-one
SYSTEMATIC NAME: heptadecan-7-one
MOLECULAR FORMULA: C17H34O
MOLECULAR WEIGHT: 254.45126
SMILES: CCCCCCCCCCC(=O)CCCCCC
Structure:
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