CAS RN: 55766-52-4
CAS Name: 4-[4-(2-chlorophenyl)-2-phenyl-5-oxazolyl]-N,N-diethylaniline
OPENEYE Name: 4-[4-(2-chlorophenyl)-2-phenyl-oxazol-5-yl]-N,N-diethyl-aniline
IUPAC Name: 4-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-N,N-diethylaniline
SYSTEMATIC NAME: 4-[4-(2-chlorophenyl)-2-phenyl-1,3-oxazol-5-yl]-N,N-diethyl-aniline
MOLECULAR FORMULA: C25H23ClN2O
MOLECULAR WEIGHT: 402.91592
SMILES: CCN(CC)C1=CC=C(C=C1)C2=C(N=C(O2)C3=CC=CC=C3)C4=CC=CC=C4Cl
Structure:
CAS RN: 55750-51-1
CAS Name: 2,5-dioxo-1-pyrrolecarboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl 2,5-dioxopyrrole-1-carboxylate
IUPAC Name: benzyl 2,5-dioxopyrrole-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 2,5-bis(oxidanylidene)pyrrole-1-carboxylate
MOLECULAR FORMULA: C12H9NO4
MOLECULAR WEIGHT: 231.20416
SMILES: C1=CC=C(C=C1)COC(=O)N2C(=O)C=CC2=O
Structure:
CAS RN: 55708-87-7
CAS Name: 2-[2-(4-methyl-1-cyclohex-3-enyl)propan-2-yloxy]ethanol
OPENEYE Name: 2-[1-methyl-1-(4-methylcyclohex-3-en-1-yl)ethoxy]ethanol
IUPAC Name: 2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]ethanol
SYSTEMATIC NAME: 2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]ethanol
MOLECULAR FORMULA: C12H22O2
MOLECULAR WEIGHT: 198.30188
SMILES: CC1=CCC(CC1)C(C)(C)OCCO
Structure:
CAS RN: 55703-66-7
CAS Name: 4-acetyl-3,5-dimethoxybenzoic acid
OPENEYE Name: 4-acetyl-3,5-dimethoxy-benzoic acid
IUPAC Name: 4-acetyl-3,5-dimethoxybenzoic acid
SYSTEMATIC NAME: 4-ethanoyl-3,5-dimethoxy-benzoic acid
MOLECULAR FORMULA: C11H12O5
MOLECULAR WEIGHT: 224.20998
SMILES: CC(=O)C1=C(C=C(C=C1OC)C(=O)O)OC
Structure:
CAS RN: 55695-36-8
CAS Name: 1-(2,2,4-trimethyl-1-cyclohex-3-enyl)ethanone
OPENEYE Name: 1-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanone
IUPAC Name: 1-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanone
SYSTEMATIC NAME: 1-(2,2,4-trimethylcyclohex-3-en-1-yl)ethanone
MOLECULAR FORMULA: C11H18O
MOLECULAR WEIGHT: 166.26002
SMILES: CC1=CC(C(CC1)C(=O)C)(C)C
Structure:
CAS RN: 55680-38-1
CAS Name: octanoic acid 2,2-bis(hydroxymethyl)butyl ester
OPENEYE Name: 2,2-bis(hydroxymethyl)butyl octanoate
IUPAC Name: 2,2-bis(hydroxymethyl)butyl octanoate
SYSTEMATIC NAME: 2,2-bis(hydroxymethyl)butyl octanoate
MOLECULAR FORMULA: C14H28O4
MOLECULAR WEIGHT: 260.36972
SMILES: CCCCCCCC(=O)OCC(CC)(CO)CO
Structure:
CAS RN: 55660-98-5
CAS Name: 2-methoxypropan-2-ylcyclohexane
OPENEYE Name: (1-methoxy-1-methyl-ethyl)cyclohexane
IUPAC Name: 2-methoxypropan-2-ylcyclohexane
SYSTEMATIC NAME: 2-methoxypropan-2-ylcyclohexane
MOLECULAR FORMULA: C10H20O
MOLECULAR WEIGHT: 156.2652
SMILES: CC(C)(C1CCCCC1)OC
Structure:
CAS RN: 55617-55-5
CAS Name: 2-(2,4-dichlorophenoxy)acetic acid nonyl ester
OPENEYE Name: nonyl 2-(2,4-dichlorophenoxy)acetate
IUPAC Name: nonyl 2-(2,4-dichlorophenoxy)acetate
SYSTEMATIC NAME: nonyl 2-[2,4-bis(chloranyl)phenoxy]ethanoate
MOLECULAR FORMULA: C17H24Cl2O3
MOLECULAR WEIGHT: 347.27666
SMILES: CCCCCCCCCOC(=O)COC1=C(C=C(C=C1)Cl)Cl
Structure:
CAS RN: 55600-75-4
CAS Name: 6-fluoro-9-(phenylmethyl)purine
OPENEYE Name: 9-benzyl-6-fluoro-purine
IUPAC Name: 9-benzyl-6-fluoropurine
SYSTEMATIC NAME: 6-fluoranyl-9-(phenylmethyl)purine
MOLECULAR FORMULA: C12H9FN4
MOLECULAR WEIGHT: 228.225063
SMILES: C1=CC=C(C=C1)CN2C=NC3=C2N=CN=C3F
Structure:
CAS RN: 55592-99-9
CAS Name: carbonochloridic acid (4-phenyldiazenylphenyl)methyl ester
OPENEYE Name: (4-phenylazophenyl)methyl carbonochloridate
IUPAC Name: (4-phenyldiazenylphenyl)methyl carbonochloridate
SYSTEMATIC NAME: (4-phenyldiazenylphenyl)methyl carbonochloridate
MOLECULAR FORMULA: C14H11ClN2O2
MOLECULAR WEIGHT: 274.70234
SMILES: C1=CC=C(C=C1)N=NC2=CC=C(C=C2)COC(=O)Cl
Structure:
CAS RN: 55585-91-6
CAS Name: acetic acid [2-(dimethylamino)-2-hydroxyethyl] ester
OPENEYE Name: [2-(dimethylamino)-2-hydroxy-ethyl] acetate
IUPAC Name: [2-(dimethylamino)-2-hydroxyethyl] acetate
SYSTEMATIC NAME: [2-(dimethylamino)-2-oxidanyl-ethyl] ethanoate
MOLECULAR FORMULA: C6H13NO3
MOLECULAR WEIGHT: 147.17232
SMILES: CC(=O)OCC(N(C)C)O
Structure:
CAS RN: 55582-77-9
CAS Name: 5-(2-methyl-4-thiazolyl)-2-furanamine
OPENEYE Name: 5-(2-methylthiazol-4-yl)furan-2-amine
IUPAC Name: 5-(2-methyl-1,3-thiazol-4-yl)furan-2-amine
SYSTEMATIC NAME: 5-(2-methyl-1,3-thiazol-4-yl)furan-2-amine
MOLECULAR FORMULA: C8H8N2OS
MOLECULAR WEIGHT: 180.22692
SMILES: CC1=NC(=CS1)C2=CC=C(O2)N
Structure:
CAS RN: 55552-25-5
CAS Name: 1-ethoxyethenyl(triphenyl)phosphonium bromide
OPENEYE Name: 1-ethoxyvinyl(triphenyl)phosphonium bromide
IUPAC Name: 1-ethoxyethenyl(triphenyl)phosphanium bromide
SYSTEMATIC NAME: 1-ethoxyethenyl(triphenyl)phosphanium bromide
MOLECULAR FORMULA: C22H22BrOP
MOLECULAR WEIGHT: 413.287241
SMILES: CCOC(=C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]
Structure:
CAS RN: 55525-35-4
CAS Name: 1-mercapto-2-hexadecanol
OPENEYE Name: 1-sulfanylhexadecan-2-ol
IUPAC Name: 1-sulfanylhexadecan-2-ol
SYSTEMATIC NAME: 1-sulfanylhexadecan-2-ol
MOLECULAR FORMULA: C16H34OS
MOLECULAR WEIGHT: 274.50556
SMILES: CCCCCCCCCCCCCCC(CS)O
Structure:
CAS RN: 55484-54-3
CAS Name: 1,1-dimethylhydrazine dihydrochloride
OPENEYE Name: 1,1-dimethylhydrazine dihydrochloride
IUPAC Name: 1,1-dimethylhydrazine dihydrochloride
SYSTEMATIC NAME: 1,1-dimethyldiazane dihydrochloride
MOLECULAR FORMULA: C2H10Cl2N2
MOLECULAR WEIGHT: 133.0202
SMILES: CN(C)N.Cl.Cl
Structure:
CAS RN: 55474-40-3
CAS Name: 2-(4-chlorophenyl)-3-oxopentanenitrile
OPENEYE Name: 2-(4-chlorophenyl)-3-oxo-pentanenitrile
IUPAC Name: 2-(4-chlorophenyl)-3-oxopentanenitrile
SYSTEMATIC NAME: 2-(4-chlorophenyl)-3-oxidanylidene-pentanenitrile
MOLECULAR FORMULA: C11H10ClNO
MOLECULAR WEIGHT: 207.6562
SMILES: CCC(=O)C(C#N)C1=CC=C(C=C1)Cl
Structure:
CAS RN: 55468-88-7
CAS Name: 4-hydroxybenzoic acid 2-phenoxyethyl ester
OPENEYE Name: 2-phenoxyethyl 4-hydroxybenzoate
IUPAC Name: 2-phenoxyethyl 4-hydroxybenzoate
SYSTEMATIC NAME: 2-phenoxyethyl 4-oxidanylbenzoate
MOLECULAR FORMULA: C15H14O4
MOLECULAR WEIGHT: 258.26926
SMILES: C1=CC=C(C=C1)OCCOC(=O)C2=CC=C(C=C2)O
Structure:
CAS RN: 55455-18-0
CAS Name: N-[2-(2-methyl-5-nitro-1-imidazolyl)ethyl]benzamide
OPENEYE Name: N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]benzamide
IUPAC Name: N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]benzamide
SYSTEMATIC NAME: N-[2-(2-methyl-5-nitro-imidazol-1-yl)ethyl]benzamide
MOLECULAR FORMULA: C13H14N4O3
MOLECULAR WEIGHT: 274.27526
SMILES: CC1=NC=C(N1CCNC(=O)C2=CC=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 55364-67-5
CAS Name: 6-methoxy-2-benzofurancarboxylic acid methyl ester
OPENEYE Name: methyl 6-methoxybenzofuran-2-carboxylate
IUPAC Name: methyl 6-methoxy-1-benzofuran-2-carboxylate
SYSTEMATIC NAME: methyl 6-methoxy-1-benzofuran-2-carboxylate
MOLECULAR FORMULA: C11H10O4
MOLECULAR WEIGHT: 206.1947
SMILES: COC1=CC2=C(C=C1)C=C(O2)C(=O)OC
Structure:
CAS RN: 55360-12-8
CAS Name: 2-chloro-2-methyl-4-pentynoic acid prop-2-enyl ester
OPENEYE Name: allyl 2-chloro-2-methyl-pent-4-ynoate
IUPAC Name: prop-2-enyl 2-chloro-2-methylpent-4-ynoate
SYSTEMATIC NAME: prop-2-enyl 2-chloranyl-2-methyl-pent-4-ynoate
MOLECULAR FORMULA: C9H11ClO2
MOLECULAR WEIGHT: 186.63544
SMILES: CC(CC#C)(C(=O)OCC=C)Cl
Structure:
CAS RN: 55339-21-4
CAS Name: 2-(diphosphonomethylamino)acetic acid
OPENEYE Name: 2-(diphosphonomethylamino)acetic acid
IUPAC Name: 2-(diphosphonomethylamino)acetic acid
SYSTEMATIC NAME: 2-(diphosphonomethylamino)ethanoic acid
MOLECULAR FORMULA: C3H9NO8P2
MOLECULAR WEIGHT: 249.052982
SMILES: C(C(=O)O)NC(P(=O)(O)O)P(=O)(O)O
Structure:
CAS RN: 55296-95-2
CAS Name: N-[2-(2-cyano-4,6-dinitrophenyl)azo-5-[ethyl(3-phenylpropyl)amino]phenyl]acetamide
OPENEYE Name: N-[2-(2-cyano-4,6-dinitro-phenyl)azo-5-[ethyl(3-phenylpropyl)amino]phenyl]acetamide
IUPAC Name: N-[2-[(2-cyano-4,6-dinitrophenyl)diazenyl]-5-[ethyl(3-phenylpropyl)amino]phenyl]acetamide
SYSTEMATIC NAME: N-[2-[(2-cyano-4,6-dinitro-phenyl)diazenyl]-5-[ethyl(3-phenylpropyl)amino]phenyl]ethanamide
MOLECULAR FORMULA: C26H25N7O5
MOLECULAR WEIGHT: 515.5206
SMILES: CCN(CCCC1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=C(C=C(C=C3C#N)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C
Structure:
CAS RN: 55296-94-1
CAS Name: N-[3-[ethyl(3-phenylpropyl)amino]phenyl]acetamide
OPENEYE Name: N-[3-[ethyl(3-phenylpropyl)amino]phenyl]acetamide
IUPAC Name: N-[3-[ethyl(3-phenylpropyl)amino]phenyl]acetamide
SYSTEMATIC NAME: N-[3-[ethyl(3-phenylpropyl)amino]phenyl]ethanamide
MOLECULAR FORMULA: C19H24N2O
MOLECULAR WEIGHT: 296.40666
SMILES: CCN(CCCC1=CC=CC=C1)C2=CC=CC(=C2)NC(=O)C
Structure:
CAS RN: 55296-92-9
CAS Name: 3-[N-(3-phenylpropyl)anilino]propanenitrile
OPENEYE Name: 3-[N-(3-phenylpropyl)anilino]propanenitrile
IUPAC Name: 3-[N-(3-phenylpropyl)anilino]propanenitrile
SYSTEMATIC NAME: 3-[phenyl(3-phenylpropyl)amino]propanenitrile
MOLECULAR FORMULA: C18H20N2
MOLECULAR WEIGHT: 264.3648
SMILES: C1=CC=C(C=C1)CCCN(CCC#N)C2=CC=CC=C2
Structure:
CAS RN: 55294-31-0
CAS Name: 1-(3,4-dichlorophenyl)ethylhydrazine
OPENEYE Name: 1-(3,4-dichlorophenyl)ethylhydrazine
IUPAC Name: 1-(3,4-dichlorophenyl)ethylhydrazine
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)ethyldiazane
MOLECULAR FORMULA: C8H10Cl2N2
MOLECULAR WEIGHT: 205.0844
SMILES: CC(C1=CC(=C(C=C1)Cl)Cl)NN
Structure:
CAS RN: 55275-61-1
CAS Name: 2-amino-1-(4-methoxyphenyl)ethanol
OPENEYE Name: 2-amino-1-(4-methoxyphenyl)ethanol
IUPAC Name: 2-amino-1-(4-methoxyphenyl)ethanol
SYSTEMATIC NAME: 2-azanyl-1-(4-methoxyphenyl)ethanol
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: COC1=CC=C(C=C1)C(CN)O
Structure:
CAS RN: 55249-73-5
CAS Name: 1-(ethoxymethyl)-4-methoxybenzene
OPENEYE Name: 1-(ethoxymethyl)-4-methoxy-benzene
IUPAC Name: 1-(ethoxymethyl)-4-methoxybenzene
SYSTEMATIC NAME: 1-(ethoxymethyl)-4-methoxy-benzene
MOLECULAR FORMULA: C10H14O2
MOLECULAR WEIGHT: 166.21696
SMILES: CCOCC1=CC=C(C=C1)OC
Structure:
CAS RN: 55236-22-1
CAS Name: N-ethyl-3-methyl-N-(2-oxiranylmethyl)aniline
OPENEYE Name: N-ethyl-3-methyl-N-(oxiran-2-ylmethyl)aniline
IUPAC Name: N-ethyl-3-methyl-N-(oxiran-2-ylmethyl)aniline
SYSTEMATIC NAME: N-ethyl-3-methyl-N-(oxiran-2-ylmethyl)aniline
MOLECULAR FORMULA: C12H17NO
MOLECULAR WEIGHT: 191.26948
SMILES: CCN(CC1CO1)C2=CC=CC(=C2)C
Structure:
CAS RN: 55235-22-8
CAS Name: 2-amino-7,9-dimethyl-3,8-dihydropurin-6-one
OPENEYE Name: 2-amino-7,9-dimethyl-3,8-dihydropurin-6-one
IUPAC Name: 2-amino-7,9-dimethyl-3,8-dihydropurin-6-one
SYSTEMATIC NAME: 2-azanyl-7,9-dimethyl-3,8-dihydropurin-6-one
MOLECULAR FORMULA: C7H11N5O
MOLECULAR WEIGHT: 181.19514
SMILES: CN1CN(C2=C1C(=O)N=C(N2)N)C
Structure:
CAS RN: 55231-64-6
CAS Name: 1,2,3,4,5-pentakis(bromomethyl)benzene
OPENEYE Name: 1,2,3,4,5-pentakis(bromomethyl)benzene
IUPAC Name: 1,2,3,4,5-pentakis(bromomethyl)benzene
SYSTEMATIC NAME: 1,2,3,4,5-pentakis(bromomethyl)benzene
MOLECULAR FORMULA: C11H11Br5
MOLECULAR WEIGHT: 542.72504
SMILES: C1=C(C(=C(C(=C1CBr)CBr)CBr)CBr)CBr
Structure:
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