CAS RN: 774-22-1
CAS Name: N-ethyl-4-fluoro-2-nitroaniline
OPENEYE Name: N-ethyl-4-fluoro-2-nitro-aniline
IUPAC Name: N-ethyl-4-fluoro-2-nitroaniline
SYSTEMATIC NAME: N-ethyl-4-fluoranyl-2-nitro-aniline
MOLECULAR FORMULA: C8H9FN2O2
MOLECULAR WEIGHT: 184.167663
SMILES: CCNC1=C(C=C(C=C1)F)[N+](=O)[O-]
Structure:
CAS RN: 36835-61-7
CAS Name: 4-acetamido-3-nitrobenzenesulfonyl fluoride
OPENEYE Name: 4-acetamido-3-nitro-benzenesulfonyl fluoride
IUPAC Name: 4-acetamido-3-nitrobenzenesulfonyl fluoride
SYSTEMATIC NAME: 4-acetamido-3-nitro-benzenesulfonyl fluoride
MOLECULAR FORMULA: C8H7FN2O5S
MOLECULAR WEIGHT: 262.214983
SMILES: CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)F)[N+](=O)[O-]
Structure:
CAS RN: 3937-98-2
CAS Name: 1-(1,3-dihydropyrrolo[3,4-b]quinolin-2-yl)-2-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanone
OPENEYE Name: 1-(1,3-dihydropyrrolo[3,4-b]quinolin-2-yl)-2-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanone
IUPAC Name: 1-(1,3-dihydropyrrolo[3,4-b]quinolin-2-yl)-2-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanone
SYSTEMATIC NAME: 1-(1,3-dihydropyrrolo[3,4-b]quinolin-2-yl)-2-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanone
MOLECULAR FORMULA: C20H23N3O2
MOLECULAR WEIGHT: 337.41552
SMILES: CC1CC(N=C(O1)CC(=O)N2CC3=CC4=CC=CC=C4N=C3C2)(C)C
Structure:
CAS RN: 32664-13-4
CAS Name: 2-(2-bromophenyl)-4,4-dimethyl-5H-oxazole
OPENEYE Name: 2-(2-bromophenyl)-4,4-dimethyl-5H-oxazole
IUPAC Name: 2-(2-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole
SYSTEMATIC NAME: 2-(2-bromophenyl)-4,4-dimethyl-5H-1,3-oxazole
MOLECULAR FORMULA: C11H12BrNO
MOLECULAR WEIGHT: 254.12308
SMILES: CC1(COC(=N1)C2=CC=CC=C2Br)C
Structure:
CAS RN: 35330-57-5
CAS Name: 4-bromo-1,1-dioxo-3-thiolanol
OPENEYE Name: 4-bromo-1,1-dioxo-thiolan-3-ol
IUPAC Name: 4-bromo-1,1-dioxothiolan-3-ol
SYSTEMATIC NAME: 4-bromanyl-1,1-bis(oxidanylidene)thiolan-3-ol
MOLECULAR FORMULA: C4H7BrO3S
MOLECULAR WEIGHT: 215.06558
SMILES: C1C(C(CS1(=O)=O)Br)O
Structure:
CAS RN: 4138-53-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H20N2O
MOLECULAR WEIGHT: 292.3749
SMILES: C1CCC2=C(C1)C(=O)CC3N2CCC4=C3NC5=CC=CC=C45
Structure:
CAS RN: 141400-58-0
CAS Name: 1,2,3,4,4a,5,7,8,9,10-decahydrobenzo[c]quinolizin-6-one
OPENEYE Name: 1,2,3,4,4a,5,7,8,9,10-decahydrobenzo[c]quinolizin-6-one
IUPAC Name: 1,2,3,4,4a,5,7,8,9,10-decahydrobenzo[c]quinolizin-6-one
SYSTEMATIC NAME: 1,2,3,4,4a,5,7,8,9,10-decahydrobenzo[c]quinolizin-6-one
MOLECULAR FORMULA: C13H19NO
MOLECULAR WEIGHT: 205.29606
SMILES: C1CCN2C(C1)CC(=O)C3=C2CCCC3
Structure:
CAS RN: 42043-11-8
CAS Name: 1,2,3,4,6,7,11b,12-octahydroisoquinolino[2,1-a]quinolin-13-one
OPENEYE Name: 1,2,3,4,6,7,11b,12-octahydroisoquinolino[2,1-a]quinolin-13-one
IUPAC Name: 1,2,3,4,6,7,11b,12-octahydroisoquinolino[2,1-a]quinolin-13-one
SYSTEMATIC NAME: 1,2,3,4,6,7,11b,12-octahydroisoquinolino[2,1-a]quinolin-13-one
MOLECULAR FORMULA: C17H19NO
MOLECULAR WEIGHT: 253.33886
SMILES: C1CCC2=C(C1)C(=O)CC3N2CCC4=CC=CC=C34
Structure:
CAS RN: 41287-95-0
CAS Name: 1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one
OPENEYE Name: 1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one
IUPAC Name: 1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one
SYSTEMATIC NAME: 1,5,6,7,8,9-hexahydrocyclohepta[b]pyridin-2-one
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: C1CCC2=C(CC1)NC(=O)C=C2
Structure:
CAS RN: 16313-45-4
CAS Name: 3-[1-cyclopentenyl(methyl)amino]propanenitrile
OPENEYE Name: 3-[cyclopenten-1-yl(methyl)amino]propanenitrile
IUPAC Name: 3-[cyclopenten-1-yl(methyl)amino]propanenitrile
SYSTEMATIC NAME: 3-[cyclopenten-1-yl(methyl)amino]propanenitrile
MOLECULAR FORMULA: C9H14N2
MOLECULAR WEIGHT: 150.22086
SMILES: CN(CCC#N)C1=CCCC1
Structure:
CAS RN: 39575-86-5
CAS Name: 2-(4,4-dimethylpentan-2-yl)-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
OPENEYE Name: 4,4,6-trimethyl-2-(1,3,3-trimethylbutyl)-5,6-dihydro-1,3-oxazine
IUPAC Name: 2-(4,4-dimethylpentan-2-yl)-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
SYSTEMATIC NAME: 2-(4,4-dimethylpentan-2-yl)-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
MOLECULAR FORMULA: C14H27NO
MOLECULAR WEIGHT: 225.37028
SMILES: CC1CC(N=C(O1)C(C)CC(C)(C)C)(C)C
Structure:
CAS RN: 19312-06-2
CAS Name: 4,4-dimethyl-2-phenyl-5H-oxazole
OPENEYE Name: 4,4-dimethyl-2-phenyl-5H-oxazole
IUPAC Name: 4,4-dimethyl-2-phenyl-5H-1,3-oxazole
SYSTEMATIC NAME: 4,4-dimethyl-2-phenyl-5H-1,3-oxazole
MOLECULAR FORMULA: C11H13NO
MOLECULAR WEIGHT: 175.22702
SMILES: CC1(COC(=N1)C2=CC=CC=C2)C
Structure:
CAS RN: 30094-06-5
CAS Name: 2-(2-methoxyphenyl)-3,4,4-trimethyloxazolidine
OPENEYE Name: 2-(2-methoxyphenyl)-3,4,4-trimethyl-oxazolidine
IUPAC Name: 2-(2-methoxyphenyl)-3,4,4-trimethyl-1,3-oxazolidine
SYSTEMATIC NAME: 2-(2-methoxyphenyl)-3,4,4-trimethyl-1,3-oxazolidine
MOLECULAR FORMULA: C13H19NO2
MOLECULAR WEIGHT: 221.29546
SMILES: CC1(COC(N1C)C2=CC=CC=C2OC)C
Structure:
CAS RN: 36867-19-3
CAS Name: 2-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)acetate
IUPAC Name: ethyl 2-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)acetate
SYSTEMATIC NAME: ethyl 2-(4,4,6-trimethyl-5,6-dihydro-1,3-oxazin-2-yl)ethanoate
MOLECULAR FORMULA: C11H19NO3
MOLECULAR WEIGHT: 213.27346
SMILES: CCOC(=O)CC1=NC(CC(O1)C)(C)C
Structure:
CAS RN: 7103-88-0
CAS Name: 3,4-bis(phenylmethoxy)furan-2,5-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 3,4-dibenzyloxyfuran-2,5-dicarboxylate
IUPAC Name: dimethyl 3,4-bis(phenylmethoxy)furan-2,5-dicarboxylate
SYSTEMATIC NAME: dimethyl 3,4-bis(phenylmethoxy)furan-2,5-dicarboxylate
MOLECULAR FORMULA: C22H20O7
MOLECULAR WEIGHT: 396.39
SMILES: COC(=O)C1=C(C(=C(O1)C(=O)OC)OCC2=CC=CC=C2)OCC3=CC=CC=C3
Structure:
CAS RN: 22885-35-4
CAS Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-1H-pyrimidine-2,4-dione
OPENEYE Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-pyrimidine-2,4-dione
IUPAC Name: 3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
SYSTEMATIC NAME: 3-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1H-pyrimidine-2,4-dione
MOLECULAR FORMULA: C9H12N2O6
MOLECULAR WEIGHT: 244.20138
SMILES: C1=CNC(=O)N(C1=O)C2C(C(C(O2)CO)O)O
Structure:
CAS RN: 475-20-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H24
MOLECULAR WEIGHT: 204.35106
SMILES: CC1(CCCC2(C3C1C(C2=C)CC3)C)C
Structure:
CAS RN: 23826-79-1
CAS Name: 4-methylbenzenesulfinic acid (1,1,1-trifluoro-2-methylpropan-2-yl) ester
OPENEYE Name: (2,2,2-trifluoro-1,1-dimethyl-ethyl) 4-methylbenzenesulfinate
IUPAC Name: (1,1,1-trifluoro-2-methylpropan-2-yl) 4-methylbenzenesulfinate
SYSTEMATIC NAME: [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] 4-methylbenzenesulfinate
MOLECULAR FORMULA: C11H13F3O2S
MOLECULAR WEIGHT: 266.27993
SMILES: CC1=CC=C(C=C1)S(=O)OC(C)(C)C(F)(F)F
Structure:
CAS RN: 19970-81-1
CAS Name: 6-methyl-6,11-dihydrothiochromeno[4,3-b]indole
OPENEYE Name: 6-methyl-6,11-dihydrothiochromeno[4,3-b]indole
IUPAC Name: 6-methyl-6,11-dihydrothiochromeno[4,3-b]indole
SYSTEMATIC NAME: 6-methyl-6,11-dihydrothiochromeno[4,3-b]indole
MOLECULAR FORMULA: C16H13NS
MOLECULAR WEIGHT: 251.34612
SMILES: CC1C2=C(C3=CC=CC=C3S1)NC4=CC=CC=C42
Structure:
CAS RN: 14120-36-6
CAS Name: 8-nitrothiopyrano[4,3-b]indole
OPENEYE Name: 8-nitrothiopyrano[4,3-b]indole
IUPAC Name: 8-nitrothiopyrano[4,3-b]indole
SYSTEMATIC NAME: 8-nitrothiopyrano[4,3-b]indole
MOLECULAR FORMULA: C11H6N2O2S
MOLECULAR WEIGHT: 230.24254
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C3=CSC=CC3=N2
Structure:
CAS RN: 4079-28-1
CAS Name: 2-methyl-6,11-dihydrothiochromeno[4,3-b]indole
OPENEYE Name: 2-methyl-6,11-dihydrothiochromeno[4,3-b]indole
IUPAC Name: 2-methyl-6,11-dihydrothiochromeno[4,3-b]indole
SYSTEMATIC NAME: 2-methyl-6,11-dihydrothiochromeno[4,3-b]indole
MOLECULAR FORMULA: C16H13NS
MOLECULAR WEIGHT: 251.34612
SMILES: CC1=CC2=C(C=C1)SCC3=C2NC4=CC=CC=C34
Structure:
CAS RN: 2825-60-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C29H38ClFO8
MOLECULAR WEIGHT: 569.058623
SMILES: CC(=O)OCC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(C[C@@H]([C@]4([C@H]3CC(=C5[C@@]4(CCC(=C5)OCCCl)C)C=O)F)O)C)OC(O2)(C)C
Structure:
CAS RN: 404-26-2
CAS Name: 4-[(2,2,2-trifluoro-1-oxoethyl)amino]benzoic acid
OPENEYE Name: 4-[(2,2,2-trifluoroacetyl)amino]benzoic acid
IUPAC Name: 4-[(2,2,2-trifluoroacetyl)amino]benzoic acid
SYSTEMATIC NAME: 4-[2,2,2-tris(fluoranyl)ethanoylamino]benzoic acid
MOLECULAR FORMULA: C9H6F3NO3
MOLECULAR WEIGHT: 233.14405
SMILES: C1=CC(=CC=C1C(=O)O)NC(=O)C(F)(F)F
Structure:
CAS RN: 1139-11-3
CAS Name: 3-amino-5-ethyl-5-phenylimidazolidine-2,4-dione
OPENEYE Name: 3-amino-5-ethyl-5-phenyl-imidazolidine-2,4-dione
IUPAC Name: 3-amino-5-ethyl-5-phenylimidazolidine-2,4-dione
SYSTEMATIC NAME: 3-azanyl-5-ethyl-5-phenyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C11H13N3O2
MOLECULAR WEIGHT: 219.23982
SMILES: CCC1(C(=O)N(C(=O)N1)N)C2=CC=CC=C2
Structure:
CAS RN: 114311-19-2
CAS Name: 3-amino-5-ethyl-5-phenylimidazolidine-2,4-dione
OPENEYE Name: 3-amino-5-ethyl-5-phenyl-imidazolidine-2,4-dione
IUPAC Name: 3-amino-5-ethyl-5-phenylimidazolidine-2,4-dione
SYSTEMATIC NAME: 3-azanyl-5-ethyl-5-phenyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C11H13N3O2
MOLECULAR WEIGHT: 219.23982
SMILES: CCC1(C(=O)N(C(=O)N1)N)C2=CC=CC=C2
Structure:
CAS RN: 86003-41-0
CAS Name: 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxo-1-imidazolidinyl]acetic acid ethyl ester
OPENEYE Name: ethyl 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]acetate
IUPAC Name: ethyl 2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SYSTEMATIC NAME: ethyl 2-[4-(4-chlorophenyl)-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanoate
MOLECULAR FORMULA: C14H15ClN2O4
MOLECULAR WEIGHT: 310.7329
SMILES: CCOC(=O)CN1C(=O)C(NC1=O)(C)C2=CC=C(C=C2)Cl
Structure:
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