CAS RN: 37791-29-0
CAS Name: 2-[(3,5-dinitro-2-thiophenyl)amino]-3-phenylpropanoic acid
OPENEYE Name: 2-[(3,5-dinitro-2-thienyl)amino]-3-phenyl-propanoic acid
IUPAC Name: 2-[(3,5-dinitrothiophen-2-yl)amino]-3-phenylpropanoic acid
SYSTEMATIC NAME: 2-[(3,5-dinitrothiophen-2-yl)amino]-3-phenyl-propanoic acid
MOLECULAR FORMULA: C13H11N3O6S
MOLECULAR WEIGHT: 337.30794
SMILES: C1=CC=C(C=C1)CC(C(=O)O)NC2=C(C=C(S2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 37791-28-9
CAS Name: 2-[(3,5-dinitro-2-thiophenyl)amino]-4-methylpentanoic acid
OPENEYE Name: 2-[(3,5-dinitro-2-thienyl)amino]-4-methyl-pentanoic acid
IUPAC Name: 2-[(3,5-dinitrothiophen-2-yl)amino]-4-methylpentanoic acid
SYSTEMATIC NAME: 2-[(3,5-dinitrothiophen-2-yl)amino]-4-methyl-pentanoic acid
MOLECULAR FORMULA: C10H13N3O6S
MOLECULAR WEIGHT: 303.29172
SMILES: CC(C)CC(C(=O)O)NC1=C(C=C(S1)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 37791-32-5
CAS Name: 2-[(3,5-dinitro-2-thiophenyl)amino]pentanedioic acid
OPENEYE Name: 2-[(3,5-dinitro-2-thienyl)amino]pentanedioic acid
IUPAC Name: 2-[(3,5-dinitrothiophen-2-yl)amino]pentanedioic acid
SYSTEMATIC NAME: 2-[(3,5-dinitrothiophen-2-yl)amino]pentanedioic acid
MOLECULAR FORMULA: C9H9N3O8S
MOLECULAR WEIGHT: 319.24806
SMILES: C1=C(SC(=C1[N+](=O)[O-])NC(CCC(=O)O)C(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 37791-31-4
CAS Name: 2-[(3,5-dinitro-2-thiophenyl)amino]butanedioic acid
OPENEYE Name: 2-[(3,5-dinitro-2-thienyl)amino]butanedioic acid
IUPAC Name: 2-[(3,5-dinitrothiophen-2-yl)amino]butanedioic acid
SYSTEMATIC NAME: 2-[(3,5-dinitrothiophen-2-yl)amino]butanedioic acid
MOLECULAR FORMULA: C8H7N3O8S
MOLECULAR WEIGHT: 305.22148
SMILES: C1=C(SC(=C1[N+](=O)[O-])NC(CC(=O)O)C(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 37791-27-8
CAS Name: 2-[(3,5-dinitro-2-thiophenyl)amino]-3-methylbutanoic acid
OPENEYE Name: 2-[(3,5-dinitro-2-thienyl)amino]-3-methyl-butanoic acid
IUPAC Name: 2-[(3,5-dinitrothiophen-2-yl)amino]-3-methylbutanoic acid
SYSTEMATIC NAME: 2-[(3,5-dinitrothiophen-2-yl)amino]-3-methyl-butanoic acid
MOLECULAR FORMULA: C9H11N3O6S
MOLECULAR WEIGHT: 289.26514
SMILES: CC(C)C(C(=O)O)NC1=C(C=C(S1)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 31554-45-7
CAS Name: 2-(3,5-dinitro-2-thiophenyl)-1-cyclohexanone
OPENEYE Name: 2-(3,5-dinitro-2-thienyl)cyclohexanone
IUPAC Name: 2-(3,5-dinitrothiophen-2-yl)cyclohexan-1-one
SYSTEMATIC NAME: 2-(3,5-dinitrothiophen-2-yl)cyclohexan-1-one
MOLECULAR FORMULA: C10H10N2O5S
MOLECULAR WEIGHT: 270.2618
SMILES: C1CCC(=O)C(C1)C2=C(C=C(S2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 26820-63-3
CAS Name: 5-nitro-2-(1-pyrrolidinyl)pyridine
OPENEYE Name: 5-nitro-2-pyrrolidin-1-yl-pyridine
IUPAC Name: 5-nitro-2-pyrrolidin-1-ylpyridine
SYSTEMATIC NAME: 5-nitro-2-pyrrolidin-1-yl-pyridine
MOLECULAR FORMULA: C9H11N3O2
MOLECULAR WEIGHT: 193.20254
SMILES: C1CCN(C1)C2=NC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 53342-39-5
CAS Name: cyclobutyl-(4-methylphenyl)methanone
OPENEYE Name: cyclobutyl(p-tolyl)methanone
IUPAC Name: cyclobutyl-(4-methylphenyl)methanone
SYSTEMATIC NAME: cyclobutyl-(4-methylphenyl)methanone
MOLECULAR FORMULA: C12H14O
MOLECULAR WEIGHT: 174.23896
SMILES: CC1=CC=C(C=C1)C(=O)C2CCC2
Structure:
CAS RN: 61892-81-7
CAS Name: 1-(2-pyrazinyl)-1-butanone
OPENEYE Name: 1-pyrazin-2-ylbutan-1-one
IUPAC Name: 1-pyrazin-2-ylbutan-1-one
SYSTEMATIC NAME: 1-pyrazin-2-ylbutan-1-one
MOLECULAR FORMULA: C8H10N2O
MOLECULAR WEIGHT: 150.1778
SMILES: CCCC(=O)C1=NC=CN=C1
Structure:
CAS RN: 21202-42-6
CAS Name: 4-(1H-imidazol-2-yl)pyridine
OPENEYE Name: 4-(1H-imidazol-2-yl)pyridine
IUPAC Name: 4-(1H-imidazol-2-yl)pyridine
SYSTEMATIC NAME: 4-(1H-imidazol-2-yl)pyridine
MOLECULAR FORMULA: C8H7N3
MOLECULAR WEIGHT: 145.16128
SMILES: C1=CN=CC=C1C2=NC=CN2
Structure:
CAS RN: 27423-79-6
CAS Name: 2-(3-fluorophenyl)-1H-imidazole
OPENEYE Name: 2-(3-fluorophenyl)-1H-imidazole
IUPAC Name: 2-(3-fluorophenyl)-1H-imidazole
SYSTEMATIC NAME: 2-(3-fluorophenyl)-1H-imidazole
MOLECULAR FORMULA: C9H7FN2
MOLECULAR WEIGHT: 162.163683
SMILES: C1=CC(=CC(=C1)F)C2=NC=CN2
Structure:
CAS RN: 27423-81-0
CAS Name: 2-(3-chlorophenyl)-1H-imidazole
OPENEYE Name: 2-(3-chlorophenyl)-1H-imidazole
IUPAC Name: 2-(3-chlorophenyl)-1H-imidazole
SYSTEMATIC NAME: 2-(3-chlorophenyl)-1H-imidazole
MOLECULAR FORMULA: C9H7ClN2
MOLECULAR WEIGHT: 178.61828
SMILES: C1=CC(=CC(=C1)Cl)C2=NC=CN2
Structure:
CAS RN: 57694-21-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C14H18O4
MOLECULAR WEIGHT: 250.29032
SMILES: CC1C2C(O2)(C34C15C(O5)C6C(C3O4)O6)C(C)(C)C
Structure:
CAS RN: 4586-90-7
CAS Name: 5-(4-methoxyphenyl)-2-methyl-2-pentanol
OPENEYE Name: 5-(4-methoxyphenyl)-2-methyl-pentan-2-ol
IUPAC Name: 5-(4-methoxyphenyl)-2-methylpentan-2-ol
SYSTEMATIC NAME: 5-(4-methoxyphenyl)-2-methyl-pentan-2-ol
MOLECULAR FORMULA: C13H20O2
MOLECULAR WEIGHT: 208.2967
SMILES: CC(C)(CCCC1=CC=C(C=C1)OC)O
Structure:
CAS RN: 90562-08-6
CAS Name: 1-(2-bromoethyl)-3-(4-nitrophenyl)urea
OPENEYE Name: 1-(2-bromoethyl)-3-(4-nitrophenyl)urea
IUPAC Name: 1-(2-bromoethyl)-3-(4-nitrophenyl)urea
SYSTEMATIC NAME: 1-(2-bromoethyl)-3-(4-nitrophenyl)urea
MOLECULAR FORMULA: C9H10BrN3O3
MOLECULAR WEIGHT: 288.098
SMILES: C1=CC(=CC=C1NC(=O)NCCBr)[N+](=O)[O-]
Structure:
CAS RN: 1136-01-2
CAS Name: 3-(4-methoxyphenyl)-3-methylbutanoic acid
OPENEYE Name: 3-(4-methoxyphenyl)-3-methyl-butanoic acid
IUPAC Name: 3-(4-methoxyphenyl)-3-methylbutanoic acid
SYSTEMATIC NAME: 3-(4-methoxyphenyl)-3-methyl-butanoic acid
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: CC(C)(CC(=O)O)C1=CC=C(C=C1)OC
Structure:
CAS RN: 57728-67-3
CAS Name: 4-bromo-N-(2-hydroxyethyl)benzamide
OPENEYE Name: 4-bromo-N-(2-hydroxyethyl)benzamide
IUPAC Name: 4-bromo-N-(2-hydroxyethyl)benzamide
SYSTEMATIC NAME: 4-bromanyl-N-(2-hydroxyethyl)benzamide
MOLECULAR FORMULA: C9H10BrNO2
MOLECULAR WEIGHT: 244.0852
SMILES: C1=CC(=CC=C1C(=O)NCCO)Br
Structure:
CAS RN: 4026-21-5
CAS Name: 2-hydroxy-2,3,3-trimethylbutanoic acid
OPENEYE Name: 2-hydroxy-2,3,3-trimethyl-butanoic acid
IUPAC Name: 2-hydroxy-2,3,3-trimethylbutanoic acid
SYSTEMATIC NAME: 2,3,3-trimethyl-2-oxidanyl-butanoic acid
MOLECULAR FORMULA: C7H14O3
MOLECULAR WEIGHT: 146.18426
SMILES: CC(C)(C)C(C)(C(=O)O)O
Structure:
CAS RN: 41914-96-9
CAS Name: 4-bromobenzenesulfonic acid (2-bromocyclohexyl) ester
OPENEYE Name: (2-bromocyclohexyl) 4-bromobenzenesulfonate
IUPAC Name: (2-bromocyclohexyl) 4-bromobenzenesulfonate
SYSTEMATIC NAME: (2-bromanylcyclohexyl) 4-bromanylbenzenesulfonate
MOLECULAR FORMULA: C12H14Br2O3S
MOLECULAR WEIGHT: 398.11076
SMILES: C1CCC(C(C1)OS(=O)(=O)C2=CC=C(C=C2)Br)Br
Structure:
CAS RN: 7074-12-6
CAS Name: 3-(4-methoxyphenyl)-2-butanone
OPENEYE Name: 3-(4-methoxyphenyl)butan-2-one
IUPAC Name: 3-(4-methoxyphenyl)butan-2-one
SYSTEMATIC NAME: 3-(4-methoxyphenyl)butan-2-one
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC(C1=CC=C(C=C1)OC)C(=O)C
Structure:
CAS RN: 18325-45-6
CAS Name: 2-(triphenylmethyl)oxyethanol
OPENEYE Name: 2-trityloxyethanol
IUPAC Name: 2-trityloxyethanol
SYSTEMATIC NAME: 2-(triphenylmethyl)oxyethanol
MOLECULAR FORMULA: C21H20O2
MOLECULAR WEIGHT: 304.3823
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCO
Structure:
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