CAS RN: 58473-74-8
CAS Name: (E)-3-(3-bromophenyl)-N-ethyl-2-propenamide
OPENEYE Name: (E)-3-(3-bromophenyl)-N-ethyl-prop-2-enamide
IUPAC Name: (E)-3-(3-bromophenyl)-N-ethylprop-2-enamide
SYSTEMATIC NAME: (E)-3-(3-bromophenyl)-N-ethyl-prop-2-enamide
MOLECULAR FORMULA: C11H12BrNO
MOLECULAR WEIGHT: 254.12308
SMILES: CCNC(=O)/C=C/C1=CC(=CC=C1)Br
Structure:
CAS RN: 69449-19-0
CAS Name: (E)-3-(3-bromophenyl)-N-ethyl-2-propenamide
OPENEYE Name: (E)-3-(3-bromophenyl)-N-ethyl-prop-2-enamide
IUPAC Name: (E)-3-(3-bromophenyl)-N-ethylprop-2-enamide
SYSTEMATIC NAME: (E)-3-(3-bromophenyl)-N-ethyl-prop-2-enamide
MOLECULAR FORMULA: C11H12BrNO
MOLECULAR WEIGHT: 254.12308
SMILES: CCNC(=O)/C=C/C1=CC(=CC=C1)Br
Structure:
CAS RN: 136230-58-5
CAS Name: 1,3-bis(3-pyridinylmethyl)thiourea
OPENEYE Name: 1,3-bis(3-pyridylmethyl)thiourea
IUPAC Name: 1,3-bis(pyridin-3-ylmethyl)thiourea
SYSTEMATIC NAME: 1,3-bis(pyridin-3-ylmethyl)thiourea
MOLECULAR FORMULA: C13H14N4S
MOLECULAR WEIGHT: 258.34206
SMILES: C1=CC(=CN=C1)CNC(=S)NCC2=CN=CC=C2
Structure:
CAS RN: 6965-01-1
CAS Name: 1,3-bis(3-pyridinylmethyl)thiourea
OPENEYE Name: 1,3-bis(3-pyridylmethyl)thiourea
IUPAC Name: 1,3-bis(pyridin-3-ylmethyl)thiourea
SYSTEMATIC NAME: 1,3-bis(pyridin-3-ylmethyl)thiourea
MOLECULAR FORMULA: C13H14N4S
MOLECULAR WEIGHT: 258.34206
SMILES: C1=CC(=CN=C1)CNC(=S)NCC2=CN=CC=C2
Structure:
CAS RN: 86522-89-6
CAS Name: 2,4-dichloro-5-fluorobenzoic acid
OPENEYE Name: 2,4-dichloro-5-fluoro-benzoic acid
IUPAC Name: 2,4-dichloro-5-fluorobenzoic acid
SYSTEMATIC NAME: 2,4-bis(chloranyl)-5-fluoranyl-benzoic acid
MOLECULAR FORMULA: C7H3Cl2FO2
MOLECULAR WEIGHT: 209.001923
SMILES: C1=C(C(=CC(=C1F)Cl)Cl)C(=O)O
Structure:
CAS RN: 79410-20-1
CAS Name: 1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid
OPENEYE Name: 1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid
IUPAC Name: 1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid
SYSTEMATIC NAME: 1,3,5-trimethylcyclohexane-1,3,5-tricarboxylic acid
MOLECULAR FORMULA: C12H18O6
MOLECULAR WEIGHT: 258.26772
SMILES: CC1(CC(CC(C1)(C)C(=O)O)(C)C(=O)O)C(=O)O
Structure:
CAS RN: 101555-62-8
CAS Name: (2R)-1-[9H-fluoren-9-ylmethoxy(oxo)methyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
IUPAC Name: (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C20H19NO4
MOLECULAR WEIGHT: 337.36916
SMILES: C1C[C@@H](N(C1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
Structure:
CAS RN: 119838-44-7
CAS Name: (2R)-2-tert-butyl-3-methyl-4-oxo-1-imidazolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (2R)-2-tert-butyl-3-methyl-4-oxo-imidazolidine-1-carboxylate
IUPAC Name: tert-butyl (2R)-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2R)-2-tert-butyl-3-methyl-4-oxidanylidene-imidazolidine-1-carboxylate
MOLECULAR FORMULA: C13H24N2O3
MOLECULAR WEIGHT: 256.34126
SMILES: CC(C)(C)[C@@H]1N(C(=O)CN1C(=O)OC(C)(C)C)C
Structure:
CAS RN: 119838-38-9
CAS Name: (2S)-2-tert-butyl-3-methyl-4-oxo-1-imidazolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (2S)-2-tert-butyl-3-methyl-4-oxo-imidazolidine-1-carboxylate
IUPAC Name: tert-butyl (2S)-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2S)-2-tert-butyl-3-methyl-4-oxidanylidene-imidazolidine-1-carboxylate
MOLECULAR FORMULA: C13H24N2O3
MOLECULAR WEIGHT: 256.34126
SMILES: CC(C)(C)[C@H]1N(C(=O)CN1C(=O)OC(C)(C)C)C
Structure:
CAS RN: 54621-94-2
CAS Name: acetic acid [(2S,3R,4S)-3-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] ester
OPENEYE Name: [(2S,3R,4S)-3-acetoxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
IUPAC Name: [(2S,3R,4S)-3-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] acetate
SYSTEMATIC NAME: [(2S,3R,4S)-3-acetyloxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] ethanoate
MOLECULAR FORMULA: C10H14O5
MOLECULAR WEIGHT: 214.21516
SMILES: C[C@H]1[C@H]([C@H](C=CO1)OC(=O)C)OC(=O)C
Structure:
CAS RN: 32890-94-1
CAS Name: 2-fluoro-6-(trifluoromethyl)benzoic acid
OPENEYE Name: 2-fluoro-6-(trifluoromethyl)benzoic acid
IUPAC Name: 2-fluoro-6-(trifluoromethyl)benzoic acid
SYSTEMATIC NAME: 2-fluoranyl-6-(trifluoromethyl)benzoic acid
MOLECULAR FORMULA: C8H4F4O2
MOLECULAR WEIGHT: 208.109773
SMILES: C1=CC(=C(C(=C1)F)C(=O)O)C(F)(F)F
Structure:
CAS RN: 22911-88-2
CAS Name: (2R)-2-(1,3-dioxo-2-isoindolyl)pentanedioic acid
OPENEYE Name: (2R)-2-(1,3-dioxoisoindolin-2-yl)pentanedioic acid
IUPAC Name: (2R)-2-(1,3-dioxoisoindol-2-yl)pentanedioic acid
SYSTEMATIC NAME: (2R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]pentanedioic acid
MOLECULAR FORMULA: C13H11NO6
MOLECULAR WEIGHT: 277.22954
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)[C@H](CCC(=O)O)C(=O)O
Structure:
CAS RN: 122375-82-0
CAS Name: 6-bromo-2,3,4-trifluoroaniline
OPENEYE Name: 6-bromo-2,3,4-trifluoro-aniline
IUPAC Name: 6-bromo-2,3,4-trifluoroaniline
SYSTEMATIC NAME: 6-bromanyl-2,3,4-tris(fluoranyl)aniline
MOLECULAR FORMULA: C6H3BrF3N
MOLECULAR WEIGHT: 225.99393
SMILES: C1=C(C(=C(C(=C1Br)N)F)F)F
Structure:
CAS RN: 24393-53-1
CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(4-bromophenyl)prop-2-enoate
IUPAC Name: ethyl (E)-3-(4-bromophenyl)prop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(4-bromophenyl)prop-2-enoate
MOLECULAR FORMULA: C11H11BrO2
MOLECULAR WEIGHT: 255.10784
SMILES: CCOC(=O)/C=C/C1=CC=C(C=C1)Br
Structure:
CAS RN: 20797-48-2
CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoic acid
MOLECULAR FORMULA: C9H6ClNO4
MOLECULAR WEIGHT: 227.60124
SMILES: C1=CC(=C(C=C1/C=C/C(=O)O)[N+](=O)[O-])Cl
Structure:
CAS RN: 6813-38-3
CAS Name: 2-(4-carboxy-2-pyridinyl)-4-pyridinecarboxylic acid
OPENEYE Name: 2-(4-carboxy-2-pyridyl)pyridine-4-carboxylic acid
IUPAC Name: 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid
SYSTEMATIC NAME: 2-(4-carboxypyridin-2-yl)pyridine-4-carboxylic acid
MOLECULAR FORMULA: C12H8N2O4
MOLECULAR WEIGHT: 244.20292
SMILES: C1=CN=C(C=C1C(=O)O)C2=NC=CC(=C2)C(=O)O
Structure:
CAS RN: 64987-05-9
CAS Name: 2-(2-formamido-4-thiazolyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(2-formamidothiazol-4-yl)acetate
IUPAC Name: ethyl 2-(2-formamido-1,3-thiazol-4-yl)acetate
SYSTEMATIC NAME: ethyl 2-(2-formamido-1,3-thiazol-4-yl)ethanoate
MOLECULAR FORMULA: C8H10N2O3S
MOLECULAR WEIGHT: 214.2416
SMILES: CCOC(=O)CC1=CSC(=N1)NC=O
Structure:
CAS RN: 79463-77-7
CAS Name: diphenoxymethylidenecyanamide
OPENEYE Name: diphenoxymethylenecyanamide
IUPAC Name: diphenoxymethylidenecyanamide
SYSTEMATIC NAME: diphenoxymethylidenecyanamide
MOLECULAR FORMULA: C14H10N2O2
MOLECULAR WEIGHT: 238.2414
SMILES: C1=CC=C(C=C1)OC(=NC#N)OC2=CC=CC=C2
Structure:
CAS RN: 68892-42-2
CAS Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
OPENEYE Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-3H-purin-2-yl]-2-methyl-propanamide
IUPAC Name: N-[9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-2-yl]-2-methylpropanamide
SYSTEMATIC NAME: N-[9-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-6-oxidanylidene-3H-purin-2-yl]-2-methyl-propanamide
MOLECULAR FORMULA: C14H19N5O5
MOLECULAR WEIGHT: 337.33116
SMILES: CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CO)O
Structure:
CAS RN: 16642-92-5
CAS Name: (E)-3-[4-(trifluoromethyl)phenyl]-2-propenoic acid
OPENEYE Name: (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid
IUPAC Name: (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C10H7F3O2
MOLECULAR WEIGHT: 216.15659
SMILES: C1=CC(=CC=C1/C=C/C(=O)O)C(F)(F)F
Structure:
CAS RN: 74431-24-6
CAS Name: propanoic acid [(1R,5S)-2-methyl-5-(1-methylethenyl)-1-cyclohex-2-enyl] ester
OPENEYE Name: [(1R,5S)-5-isopropenyl-2-methyl-cyclohex-2-en-1-yl] propanoate
IUPAC Name: [(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] propanoate
SYSTEMATIC NAME: [(1R,5S)-2-methyl-5-prop-1-en-2-yl-cyclohex-2-en-1-yl] propanoate
MOLECULAR FORMULA: C13H20O2
MOLECULAR WEIGHT: 208.2967
SMILES: CCC(=O)O[C@@H]1C[C@H](CC=C1C)C(=C)C
Structure:
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