CAS RN: 17139-73-0
CAS Name: N-(4-methylphenyl)-1-(3-nitrophenyl)methanimine
OPENEYE Name: 1-(3-nitrophenyl)-N-(p-tolyl)methanimine
IUPAC Name: N-(4-methylphenyl)-1-(3-nitrophenyl)methanimine
SYSTEMATIC NAME: N-(4-methylphenyl)-1-(3-nitrophenyl)methanimine
MOLECULAR FORMULA: C14H12N2O2
MOLECULAR WEIGHT: 240.25728
SMILES: CC1=CC=C(C=C1)N=CC2=CC(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 16309-45-8
CAS Name: 4-(4-nitrophenoxy)benzoic acid
OPENEYE Name: 4-(4-nitrophenoxy)benzoic acid
IUPAC Name: 4-(4-nitrophenoxy)benzoic acid
SYSTEMATIC NAME: 4-(4-nitrophenoxy)benzoic acid
MOLECULAR FORMULA: C13H9NO5
MOLECULAR WEIGHT: 259.21426
SMILES: C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 2986-23-4
CAS Name: N,N'-dimethylcarbamimidothioic acid methyl ester
OPENEYE Name: 1,2,3-trimethylisothiourea
IUPAC Name: methyl N,N'-dimethylcarbamimidothioate
SYSTEMATIC NAME: methyl N,N'-dimethylcarbamimidothioate
MOLECULAR FORMULA: C4H10N2S
MOLECULAR WEIGHT: 118.2006
SMILES: CNC(=NC)SC
Structure:
CAS RN: 56269-39-7
CAS Name: 4-(methylamino)-4-oxobutanoic acid
OPENEYE Name: 4-(methylamino)-4-oxo-butanoic acid
IUPAC Name: 4-(methylamino)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-(methylamino)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C5H9NO3
MOLECULAR WEIGHT: 131.12986
SMILES: CNC(=O)CCC(=O)O
Structure:
CAS RN: 6942-95-6
CAS Name: 4-(methylamino)-4-oxobutanoic acid
OPENEYE Name: 4-(methylamino)-4-oxo-butanoic acid
IUPAC Name: 4-(methylamino)-4-oxobutanoic acid
SYSTEMATIC NAME: 4-(methylamino)-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C5H9NO3
MOLECULAR WEIGHT: 131.12986
SMILES: CNC(=O)CCC(=O)O
Structure:
CAS RN: 54812-56-5
CAS Name: (3-chloro-4-methylphenyl)hydrazine
OPENEYE Name: (3-chloro-4-methyl-phenyl)hydrazine
IUPAC Name: (3-chloro-4-methylphenyl)hydrazine
SYSTEMATIC NAME: (3-chloranyl-4-methyl-phenyl)diazane
MOLECULAR FORMULA: C7H9ClN2
MOLECULAR WEIGHT: 156.61276
SMILES: CC1=C(C=C(C=C1)NN)Cl
Structure:
CAS RN: 51304-65-5
CAS Name: (3-chloro-4-methylphenyl)hydrazine
OPENEYE Name: (3-chloro-4-methyl-phenyl)hydrazine
IUPAC Name: (3-chloro-4-methylphenyl)hydrazine
SYSTEMATIC NAME: (3-chloranyl-4-methyl-phenyl)diazane
MOLECULAR FORMULA: C7H9ClN2
MOLECULAR WEIGHT: 156.61276
SMILES: CC1=C(C=C(C=C1)NN)Cl
Structure:
CAS RN: 67801-21-2
CAS Name: (2-bromo-4-methylphenyl)hydrazine
OPENEYE Name: (2-bromo-4-methyl-phenyl)hydrazine
IUPAC Name: (2-bromo-4-methylphenyl)hydrazine
SYSTEMATIC NAME: (2-bromanyl-4-methyl-phenyl)diazane
MOLECULAR FORMULA: C7H9BrN2
MOLECULAR WEIGHT: 201.06376
SMILES: CC1=CC(=C(C=C1)NN)Br
Structure:
CAS RN: 21120-65-0
CAS Name: 4-(4-methylphenoxy)benzoic acid
OPENEYE Name: 4-(4-methylphenoxy)benzoic acid
IUPAC Name: 4-(4-methylphenoxy)benzoic acid
SYSTEMATIC NAME: 4-(4-methylphenoxy)benzoic acid
MOLECULAR FORMULA: C14H12O3
MOLECULAR WEIGHT: 228.24328
SMILES: CC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 41287-99-4
CAS Name: (5E)-2-methylhepta-1,5-diene
OPENEYE Name: (5E)-2-methylhepta-1,5-diene
IUPAC Name: (5E)-2-methylhepta-1,5-diene
SYSTEMATIC NAME: (5E)-2-methylhepta-1,5-diene
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: C/C=C/CCC(=C)C
Structure:
CAS RN: 41044-63-7
CAS Name: (5E)-2-methylhepta-1,5-diene
OPENEYE Name: (5E)-2-methylhepta-1,5-diene
IUPAC Name: (5E)-2-methylhepta-1,5-diene
SYSTEMATIC NAME: (5E)-2-methylhepta-1,5-diene
MOLECULAR FORMULA: C8H14
MOLECULAR WEIGHT: 110.19676
SMILES: C/C=C/CCC(=C)C
Structure:
CAS RN: 4919-34-0
CAS Name: 3-(4-ethoxyphenyl)propanoic acid
OPENEYE Name: 3-(4-ethoxyphenyl)propanoic acid
IUPAC Name: 3-(4-ethoxyphenyl)propanoic acid
SYSTEMATIC NAME: 3-(4-ethoxyphenyl)propanoic acid
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: CCOC1=CC=C(C=C1)CCC(=O)O
Structure:
CAS RN: 508-41-8
CAS Name: [2-(4-chloroanilino)-4-quinolinyl]-(2-piperidinyl)methanol
OPENEYE Name: [2-(4-chloroanilino)-4-quinolyl]-(2-piperidyl)methanol
IUPAC Name: [2-(4-chloroanilino)quinolin-4-yl]-piperidin-2-ylmethanol
SYSTEMATIC NAME: [2-[(4-chlorophenyl)amino]quinolin-4-yl]-piperidin-2-yl-methanol
MOLECULAR FORMULA: C21H22ClN3O
MOLECULAR WEIGHT: 367.87188
SMILES: C1CCNC(C1)C(C2=CC(=NC3=CC=CC=C32)NC4=CC=C(C=C4)Cl)O
Structure:
CAS RN: 50304-44-4
CAS Name: 1,2-dibromocyclohexene
OPENEYE Name: 1,2-dibromocyclohexene
IUPAC Name: 1,2-dibromocyclohexene
SYSTEMATIC NAME: 1,2-bis(bromanyl)cyclohexene
MOLECULAR FORMULA: C6H8Br2
MOLECULAR WEIGHT: 239.93572
SMILES: C1CCC(=C(C1)Br)Br
Structure:
CAS RN: 24612-49-5
CAS Name: 1-(2-oxolanyl)-1-propanol
OPENEYE Name: 1-tetrahydrofuran-2-ylpropan-1-ol
IUPAC Name: 1-(oxolan-2-yl)propan-1-ol
SYSTEMATIC NAME: 1-(oxolan-2-yl)propan-1-ol
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: CCC(C1CCCO1)O
Structure:
CAS RN: 17696-94-5
CAS Name: (6-chloro-2-methoxy-9,10-dihydroacridin-9-yl)methanol
OPENEYE Name: (6-chloro-2-methoxy-9,10-dihydroacridin-9-yl)methanol
IUPAC Name: (6-chloro-2-methoxy-9,10-dihydroacridin-9-yl)methanol
SYSTEMATIC NAME: (6-chloranyl-2-methoxy-9,10-dihydroacridin-9-yl)methanol
MOLECULAR FORMULA: C15H14ClNO2
MOLECULAR WEIGHT: 275.73016
SMILES: COC1=CC2=C(C=C1)NC3=C(C2CO)C=CC(=C3)Cl
Structure:
CAS RN: 13518-40-6
CAS Name: 7a-methyl-6-(phenoxymethyl)-2,3,5,6-tetrahydrooxazolo[2,3-b]oxazole
OPENEYE Name: 7a-methyl-6-(phenoxymethyl)-2,3,5,6-tetrahydrooxazolo[2,3-b]oxazole
IUPAC Name: 7a-methyl-6-(phenoxymethyl)-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole
SYSTEMATIC NAME: 7a-methyl-6-(phenoxymethyl)-2,3,5,6-tetrahydro-[1,3]oxazolo[2,3-b][1,3]oxazole
MOLECULAR FORMULA: C13H17NO3
MOLECULAR WEIGHT: 235.27898
SMILES: CC12N(CCO1)CC(O2)COC3=CC=CC=C3
Structure:
CAS RN: 15459-04-8
CAS Name: 2-tert-butyl-6-[[4-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-4-methylphenol
OPENEYE Name: 2-tert-butyl-6-[[4-[(3-tert-butyl-2-hydroxy-5-methyl-phenyl)methyl]-2,3,5,6-tetramethyl-phenyl]methyl]-4-methyl-phenol
IUPAC Name: 2-tert-butyl-6-[[4-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-2,3,5,6-tetramethylphenyl]methyl]-4-methylphenol
SYSTEMATIC NAME: 2-tert-butyl-6-[[4-[(3-tert-butyl-5-methyl-2-oxidanyl-phenyl)methyl]-2,3,5,6-tetramethyl-phenyl]methyl]-4-methyl-phenol
MOLECULAR FORMULA: C34H46O2
MOLECULAR WEIGHT: 486.72784
SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=C(C(=C2C)C)CC3=C(C(=CC(=C3)C)C(C)(C)C)O)C)C
Structure:
CAS RN: 35324-29-9
CAS Name: acetic acid 1,3,4-trichlorobutan-2-yl ester
OPENEYE Name: [2,3-dichloro-1-(chloromethyl)propyl] acetate
IUPAC Name: 1,3,4-trichlorobutan-2-yl acetate
SYSTEMATIC NAME: 1,3,4-tris(chloranyl)butan-2-yl ethanoate
MOLECULAR FORMULA: C6H9Cl3O2
MOLECULAR WEIGHT: 219.49346
SMILES: CC(=O)OC(CCl)C(CCl)Cl
Structure:
CAS RN: 90716-15-7
CAS Name: N-(4-acetylphenyl)hexadecanamide
OPENEYE Name: N-(4-acetylphenyl)hexadecanamide
IUPAC Name: N-(4-acetylphenyl)hexadecanamide
SYSTEMATIC NAME: N-(4-ethanoylphenyl)hexadecanamide
MOLECULAR FORMULA: C24H39NO2
MOLECULAR WEIGHT: 373.57196
SMILES: CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)C
Structure:
CAS RN: 49779-98-8
CAS Name: 2-(2-amino-4-phenyl-5-thiazolyl)acetic acid
OPENEYE Name: 2-(2-amino-4-phenyl-thiazol-5-yl)acetic acid
IUPAC Name: 2-(2-amino-4-phenyl-1,3-thiazol-5-yl)acetic acid
SYSTEMATIC NAME: 2-(2-azanyl-4-phenyl-1,3-thiazol-5-yl)ethanoic acid
MOLECULAR FORMULA: C11H10N2O2S
MOLECULAR WEIGHT: 234.2743
SMILES: C1=CC=C(C=C1)C2=C(SC(=N2)N)CC(=O)O
Structure:
CAS RN: 71974-85-1
CAS Name: [9-(hydroxymethyl)-7,11-dioxaspiro[5.5]undecan-9-yl]methanol
OPENEYE Name: [9-(hydroxymethyl)-7,11-dioxaspiro[5.5]undecan-9-yl]methanol
IUPAC Name: [9-(hydroxymethyl)-7,11-dioxaspiro[5.5]undecan-9-yl]methanol
SYSTEMATIC NAME: [9-(hydroxymethyl)-7,11-dioxaspiro[5.5]undecan-9-yl]methanol
MOLECULAR FORMULA: C11H20O4
MOLECULAR WEIGHT: 216.2741
SMILES: C1CCC2(CC1)OCC(CO2)(CO)CO
Structure:
CAS RN: 59962-99-1
CAS Name: 1-(4,5-dichloro-2-nitrophenyl)pyrrolidine
OPENEYE Name: 1-(4,5-dichloro-2-nitro-phenyl)pyrrolidine
IUPAC Name: 1-(4,5-dichloro-2-nitrophenyl)pyrrolidine
SYSTEMATIC NAME: 1-[4,5-bis(chloranyl)-2-nitro-phenyl]pyrrolidine
MOLECULAR FORMULA: C10H10Cl2N2O2
MOLECULAR WEIGHT: 261.1046
SMILES: C1CCN(C1)C2=CC(=C(C=C2[N+](=O)[O-])Cl)Cl
Structure:
CAS RN: 59963-00-7
CAS Name: 1-(4-bromo-2-nitrophenyl)pyrrolidine
OPENEYE Name: 1-(4-bromo-2-nitro-phenyl)pyrrolidine
IUPAC Name: 1-(4-bromo-2-nitrophenyl)pyrrolidine
SYSTEMATIC NAME: 1-(4-bromanyl-2-nitro-phenyl)pyrrolidine
MOLECULAR FORMULA: C10H11BrN2O2
MOLECULAR WEIGHT: 271.11054
SMILES: C1CCN(C1)C2=C(C=C(C=C2)Br)[N+](=O)[O-]
Structure:
CAS RN: 53951-84-1
CAS Name: 1-methyl-2-benzo[e][1,3]benzothiazolimine
OPENEYE Name: 1-methylbenzo[e][1,3]benzothiazol-2-imine
IUPAC Name: 1-methylbenzo[e][1,3]benzothiazol-2-imine
SYSTEMATIC NAME: 1-methylbenzo[e][1,3]benzothiazol-2-imine
MOLECULAR FORMULA: C12H10N2S
MOLECULAR WEIGHT: 214.2862
SMILES: CN1C2=C(C=CC3=CC=CC=C32)SC1=N
Structure:
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