CAS RN: 30764-67-1
CAS Name: 2-cyano-N-prop-2-enylacetamide
OPENEYE Name: N-allyl-2-cyano-acetamide
IUPAC Name: 2-cyano-N-prop-2-enylacetamide
SYSTEMATIC NAME: 2-cyano-N-prop-2-enyl-ethanamide
MOLECULAR FORMULA: C6H8N2O
MOLECULAR WEIGHT: 124.14052
SMILES: C=CCNC(=O)CC#N
Structure:
CAS RN: 32737-35-2
CAS Name: 4,4,4',4'-tetramethyl-2,2'-spirobi[3,4-dihydro-2H-1-benzopyran]-6,6',7,7'-tetrol
OPENEYE Name: 4,4,4',4'-tetramethyl-2,2'-spirobi[chromane]-6,6',7,7'-tetrol
IUPAC Name: 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6,6',7,7'-tetrol
SYSTEMATIC NAME: 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-6,6',7,7'-tetrol
MOLECULAR FORMULA: C21H24O6
MOLECULAR WEIGHT: 372.41166
SMILES: CC1(CC2(CC(C3=CC(=C(C=C3O2)O)O)(C)C)OC4=CC(=C(C=C41)O)O)C
Structure:
CAS RN: 35799-28-1
CAS Name: N-(3-nitrophenyl)-1-pyrrolidinecarboxamide
OPENEYE Name: N-(3-nitrophenyl)pyrrolidine-1-carboxamide
IUPAC Name: N-(3-nitrophenyl)pyrrolidine-1-carboxamide
SYSTEMATIC NAME: N-(3-nitrophenyl)pyrrolidine-1-carboxamide
MOLECULAR FORMULA: C11H13N3O3
MOLECULAR WEIGHT: 235.23922
SMILES: C1CCN(C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 559-37-5
CAS Name: 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole
OPENEYE Name: 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole
IUPAC Name: 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole
SYSTEMATIC NAME: 2-[1,1,2,2,3,3,3-heptakis(fluoranyl)propyl]-1H-benzimidazole
MOLECULAR FORMULA: C10H5F7N2
MOLECULAR WEIGHT: 286.148922
SMILES: C1=CC=C2C(=C1)NC(=N2)C(C(C(F)(F)F)(F)F)(F)F
Structure:
CAS RN: 1006-19-5
CAS Name: 1-methyl-2H-indazol-3-one
OPENEYE Name: 1-methyl-2H-indazol-3-one
IUPAC Name: 1-methyl-2H-indazol-3-one
SYSTEMATIC NAME: 1-methyl-2H-indazol-3-one
MOLECULAR FORMULA: C8H8N2O
MOLECULAR WEIGHT: 148.16192
SMILES: CN1C2=CC=CC=C2C(=O)N1
Structure:
CAS RN: 19962-66-4
CAS Name: 2,5,5-triphenyl-1,3-dioxolan-4-one
OPENEYE Name: 2,5,5-triphenyl-1,3-dioxolan-4-one
IUPAC Name: 2,5,5-triphenyl-1,3-dioxolan-4-one
SYSTEMATIC NAME: 2,5,5-triphenyl-1,3-dioxolan-4-one
MOLECULAR FORMULA: C21H16O3
MOLECULAR WEIGHT: 316.34994
SMILES: C1=CC=C(C=C1)C2OC(=O)C(O2)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 1801-18-9
CAS Name: 3-amino-N-phenyl-2-butenamide
OPENEYE Name: 3-amino-N-phenyl-but-2-enamide
IUPAC Name: 3-amino-N-phenylbut-2-enamide
SYSTEMATIC NAME: 3-azanyl-N-phenyl-but-2-enamide
MOLECULAR FORMULA: C10H12N2O
MOLECULAR WEIGHT: 176.21508
SMILES: CC(=CC(=O)NC1=CC=CC=C1)N
Structure:
CAS RN: 1614-08-0
CAS Name: 3,5-dihydrazinyl-1,2,4-triazol-4-amine
OPENEYE Name: 3,5-dihydrazino-1,2,4-triazol-4-amine
IUPAC Name: 3,5-dihydrazinyl-1,2,4-triazol-4-amine
SYSTEMATIC NAME: 3,5-bis(diazanyl)-1,2,4-triazol-4-amine
MOLECULAR FORMULA: C2H8N8
MOLECULAR WEIGHT: 144.13852
SMILES: C1(=NN=C(N1N)NN)NN
Structure:
CAS RN: 86366-94-1
CAS Name: 2-[(tert-butylamino)methyl]-6-[[3-[(tert-butylamino)methyl]-5-chloro-2-hydroxyphenyl]thio]-4-chlorophenol
OPENEYE Name: 2-[(tert-butylamino)methyl]-6-[3-[(tert-butylamino)methyl]-5-chloro-2-hydroxy-phenyl]sulfanyl-4-chloro-phenol
IUPAC Name: 2-[(tert-butylamino)methyl]-6-[3-[(tert-butylamino)methyl]-5-chloro-2-hydroxyphenyl]sulfanyl-4-chlorophenol
SYSTEMATIC NAME: 2-[(tert-butylamino)methyl]-6-[3-[(tert-butylamino)methyl]-5-chloranyl-2-oxidanyl-phenyl]sulfanyl-4-chloranyl-phenol
MOLECULAR FORMULA: C22H30Cl2N2O2S
MOLECULAR WEIGHT: 457.4568
SMILES: CC(C)(C)NCC1=CC(=CC(=C1O)SC2=C(C(=CC(=C2)Cl)CNC(C)(C)C)O)Cl
Structure:
CAS RN: 86375-76-0
CAS Name: 4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]-6-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenol
OPENEYE Name: 4-chloro-2-[(5-chloro-2-hydroxy-phenyl)methyl]-6-[(1,1,3,3-tetramethylbutylamino)methyl]phenol
IUPAC Name: 4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]-6-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenol
SYSTEMATIC NAME: 4-chloranyl-2-[(5-chloranyl-2-oxidanyl-phenyl)methyl]-6-[(2,4,4-trimethylpentan-2-ylamino)methyl]phenol
MOLECULAR FORMULA: C22H29Cl2NO2
MOLECULAR WEIGHT: 410.37716
SMILES: CC(C)(C)CC(C)(C)NCC1=C(C(=CC(=C1)Cl)CC2=C(C=CC(=C2)Cl)O)O
Structure:
CAS RN: 86239-64-7
CAS Name: 4-ethyl-N-methyl-1-octyn-3-amine
OPENEYE Name: 4-ethyl-N-methyl-oct-1-yn-3-amine
IUPAC Name: 4-ethyl-N-methyloct-1-yn-3-amine
SYSTEMATIC NAME: 4-ethyl-N-methyl-oct-1-yn-3-amine
MOLECULAR FORMULA: C11H21N
MOLECULAR WEIGHT: 167.29114
SMILES: CCCCC(CC)C(C#C)NC
Structure:
CAS RN: 58942-08-8
CAS Name: 5-(hydroxymethyl)imidazolidine-2,4-dione
OPENEYE Name: 5-(hydroxymethyl)imidazolidine-2,4-dione
IUPAC Name: 5-(hydroxymethyl)imidazolidine-2,4-dione
SYSTEMATIC NAME: 5-(hydroxymethyl)imidazolidine-2,4-dione
MOLECULAR FORMULA: C4H6N2O3
MOLECULAR WEIGHT: 130.10204
SMILES: C(C1C(=O)NC(=O)N1)O
Structure:
CAS RN: 1762-71-6
CAS Name: 3-ethyl-2-ethylimino-5-(phenylmethylene)-4-thiazolidinone
OPENEYE Name: 5-benzylidene-3-ethyl-2-ethylimino-thiazolidin-4-one
IUPAC Name: 5-benzylidene-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
SYSTEMATIC NAME: 3-ethyl-2-ethylimino-5-(phenylmethylidene)-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C14H16N2OS
MOLECULAR WEIGHT: 260.35464
SMILES: CCN=C1N(C(=O)C(=CC2=CC=CC=C2)S1)CC
Structure:
CAS RN: 46947-87-9
CAS Name: 2-chloro-4-(3-chloro-4-hydroxyphenyl)sulfonylphenol
OPENEYE Name: 2-chloro-4-(3-chloro-4-hydroxy-phenyl)sulfonyl-phenol
IUPAC Name: 2-chloro-4-(3-chloro-4-hydroxyphenyl)sulfonylphenol
SYSTEMATIC NAME: 2-chloranyl-4-(3-chloranyl-4-oxidanyl-phenyl)sulfonyl-phenol
MOLECULAR FORMULA: C12H8Cl2O4S
MOLECULAR WEIGHT: 319.16052
SMILES: C1=CC(=C(C=C1S(=O)(=O)C2=CC(=C(C=C2)O)Cl)Cl)O
Structure:
CAS RN: 10147-68-9
CAS Name: 2-chloro-N-(2-hydroxyphenyl)acetamide
OPENEYE Name: 2-chloro-N-(2-hydroxyphenyl)acetamide
IUPAC Name: 2-chloro-N-(2-hydroxyphenyl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(2-hydroxyphenyl)ethanamide
MOLECULAR FORMULA: C8H8ClNO2
MOLECULAR WEIGHT: 185.60762
SMILES: C1=CC=C(C(=C1)NC(=O)CCl)O
Structure:
CAS RN: 1709-06-4
CAS Name: 2-chloro-N,N-bis(2-hydroxyethyl)acetamide
OPENEYE Name: 2-chloro-N,N-bis(2-hydroxyethyl)acetamide
IUPAC Name: 2-chloro-N,N-bis(2-hydroxyethyl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N,N-bis(2-hydroxyethyl)ethanamide
MOLECULAR FORMULA: C6H12ClNO3
MOLECULAR WEIGHT: 181.61738
SMILES: C(CO)N(CCO)C(=O)CCl
Structure:
CAS RN: 50463-17-7
CAS Name: 2-(prop-2-enylthio)-1,3-benzoxazole
OPENEYE Name: 2-allylsulfanyl-1,3-benzoxazole
IUPAC Name: 2-prop-2-enylsulfanyl-1,3-benzoxazole
SYSTEMATIC NAME: 2-prop-2-enylsulfanyl-1,3-benzoxazole
MOLECULAR FORMULA: C10H9NOS
MOLECULAR WEIGHT: 191.24956
SMILES: C=CCSC1=NC2=CC=CC=C2O1
Structure:
CAS RN: 58965-05-2
CAS Name: 2-(2,4-dichlorophenoxy)acetic acid prop-2-enyl ester
OPENEYE Name: allyl 2-(2,4-dichlorophenoxy)acetate
IUPAC Name: prop-2-enyl 2-(2,4-dichlorophenoxy)acetate
SYSTEMATIC NAME: prop-2-enyl 2-[2,4-bis(chloranyl)phenoxy]ethanoate
MOLECULAR FORMULA: C11H10Cl2O3
MOLECULAR WEIGHT: 261.1013
SMILES: C=CCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
Structure:
CAS RN: 6496-89-5
CAS Name: 2-(2,4-dimethoxyphenyl)acetic acid
OPENEYE Name: 2-(2,4-dimethoxyphenyl)acetic acid
IUPAC Name: 2-(2,4-dimethoxyphenyl)acetic acid
SYSTEMATIC NAME: 2-(2,4-dimethoxyphenyl)ethanoic acid
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: COC1=CC(=C(C=C1)CC(=O)O)OC
Structure:
CAS RN: 32772-86-4
CAS Name: N-[(4-chloroanilino)-oxomethyl]acetamide
OPENEYE Name: N-[(4-chlorophenyl)carbamoyl]acetamide
IUPAC Name: N-[(4-chlorophenyl)carbamoyl]acetamide
SYSTEMATIC NAME: N-[(4-chlorophenyl)carbamoyl]ethanamide
MOLECULAR FORMULA: C9H9ClN2O2
MOLECULAR WEIGHT: 212.63296
SMILES: CC(=O)NC(=O)NC1=CC=C(C=C1)Cl
Structure:
CAS RN: 23248-52-4
CAS Name: 1,1,2-trichloro-2-(1,2,2-trichloroethenylthio)ethene
OPENEYE Name: 1,1,2-trichloro-2-(1,2,2-trichlorovinylsulfanyl)ethylene
IUPAC Name: 1,1,2-trichloro-2-(1,2,2-trichloroethenylsulfanyl)ethene
SYSTEMATIC NAME: 1,1,2-tris(chloranyl)-2-[1,2,2-tris(chloranyl)ethenylsulfanyl]ethene
MOLECULAR FORMULA: C4Cl6S
MOLECULAR WEIGHT: 292.8258
SMILES: C(=C(Cl)Cl)(SC(=C(Cl)Cl)Cl)Cl
Structure:
CAS RN: 3559-73-7
CAS Name: 2,2-dichloroethenylsulfonylbenzene
OPENEYE Name: 2,2-dichlorovinylsulfonylbenzene
IUPAC Name: 2,2-dichloroethenylsulfonylbenzene
SYSTEMATIC NAME: 2,2-bis(chloranyl)ethenylsulfonylbenzene
MOLECULAR FORMULA: C8H6Cl2O2S
MOLECULAR WEIGHT: 237.10304
SMILES: C1=CC=C(C=C1)S(=O)(=O)C=C(Cl)Cl
Structure:
CAS RN: 91385-58-9
CAS Name: [(1,1-dioxo-3-thiolanyl)thio]-dimethoxy-sulfanylidenephosphorane
OPENEYE Name: (1,1-dioxothiolan-3-yl)sulfanyl-dimethoxy-thioxo-$l^{5}-phosphane
IUPAC Name: (1,1-dioxothiolan-3-yl)sulfanyl-dimethoxy-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: [1,1-bis(oxidanylidene)thiolan-3-yl]sulfanyl-dimethoxy-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C6H13O4PS3
MOLECULAR WEIGHT: 276.333781
SMILES: COP(=S)(OC)SC1CCS(=O)(=O)C1
Structure:
CAS RN: 92277-03-7
CAS Name: diethoxy-sulfanylidene-(trichloromethyldisulfanyl)phosphorane
OPENEYE Name: diethoxy-thioxo-(trichloromethyldisulfanyl)-$l^{5}-phosphane
IUPAC Name: diethoxy-sulfanylidene-(trichloromethyldisulfanyl)-$l^{5}-phosphane
SYSTEMATIC NAME: diethoxy-sulfanylidene-(trichloromethyldisulfanyl)-$l^{5}-phosphane
MOLECULAR FORMULA: C5H10Cl3O2PS3
MOLECULAR WEIGHT: 335.659461
SMILES: CCOP(=S)(OCC)SSC(Cl)(Cl)Cl
Structure:
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