CAS RN: 76778-13-7
CAS Name: 2-chloro-N-(3,4-difluorophenyl)acetamide
OPENEYE Name: 2-chloro-N-(3,4-difluorophenyl)acetamide
IUPAC Name: 2-chloro-N-(3,4-difluorophenyl)acetamide
SYSTEMATIC NAME: N-[3,4-bis(fluoranyl)phenyl]-2-chloranyl-ethanamide
MOLECULAR FORMULA: C8H6ClF2NO
MOLECULAR WEIGHT: 205.589146
SMILES: C1=CC(=C(C=C1NC(=O)CCl)F)F
Structure:
CAS RN: 227199-07-7
CAS Name: N-(1,3-benzodioxol-5-yl)-2-chloroacetamide
OPENEYE Name: N-(1,3-benzodioxol-5-yl)-2-chloro-acetamide
IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-chloroacetamide
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-yl)-2-chloranyl-ethanamide
MOLECULAR FORMULA: C9H8ClNO3
MOLECULAR WEIGHT: 213.61772
SMILES: C1OC2=C(O1)C=C(C=C2)NC(=O)CCl
Structure:
CAS RN: 68400-51-1
CAS Name: 2-phenylethylthiourea
OPENEYE Name: 2-phenylethylthiourea
IUPAC Name: 2-phenylethylthiourea
SYSTEMATIC NAME: 1-(2-phenylethyl)thiourea
MOLECULAR FORMULA: C9H12N2S
MOLECULAR WEIGHT: 180.26998
SMILES: C1=CC=C(C=C1)CCNC(=S)N
Structure:
CAS RN: 1736-70-5
CAS Name: [3-(trifluoromethyl)phenyl]thiourea
OPENEYE Name: [3-(trifluoromethyl)phenyl]thiourea
IUPAC Name: [3-(trifluoromethyl)phenyl]thiourea
SYSTEMATIC NAME: 1-[3-(trifluoromethyl)phenyl]thiourea
MOLECULAR FORMULA: C8H7F3N2S
MOLECULAR WEIGHT: 220.21479
SMILES: C1=CC(=CC(=C1)NC(=S)N)C(F)(F)F
Structure:
CAS RN: 21220-90-6
CAS Name: [3-(trifluoromethyl)phenyl]thiourea
OPENEYE Name: [3-(trifluoromethyl)phenyl]thiourea
IUPAC Name: [3-(trifluoromethyl)phenyl]thiourea
SYSTEMATIC NAME: 1-[3-(trifluoromethyl)phenyl]thiourea
MOLECULAR FORMULA: C8H7F3N2S
MOLECULAR WEIGHT: 220.21479
SMILES: C1=CC(=CC(=C1)NC(=S)N)C(F)(F)F
Structure:
CAS RN: 3696-23-9
CAS Name: (4-chlorophenyl)thiourea
OPENEYE Name: (4-chlorophenyl)thiourea
IUPAC Name: (4-chlorophenyl)thiourea
SYSTEMATIC NAME: 1-(4-chlorophenyl)thiourea
MOLECULAR FORMULA: C7H7ClN2S
MOLECULAR WEIGHT: 186.66188
SMILES: C1=CC(=CC=C1NC(=S)N)Cl
Structure:
CAS RN: 7461-60-1
CAS Name: (E)-3-(2,3-dimethoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2,3-dimethoxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2,3-dimethoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2,3-dimethoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: COC1=CC=CC(=C1OC)/C=C/C(=O)O
Structure:
CAS RN: 33130-03-9
CAS Name: (E)-3-(2,3,4-trimethoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2,3,4-trimethoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C12H14O5
MOLECULAR WEIGHT: 238.23656
SMILES: COC1=C(C(=C(C=C1)/C=C/C(=O)O)OC)OC
Structure:
CAS RN: 168833-80-5
CAS Name: (E)-3-[3-(trifluoromethoxy)phenyl]-2-propenoic acid
OPENEYE Name: (E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoic acid
IUPAC Name: (E)-3-[3-(trifluoromethoxy)phenyl]prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[3-(trifluoromethyloxy)phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C10H7F3O3
MOLECULAR WEIGHT: 232.15599
SMILES: C1=CC(=CC(=C1)OC(F)(F)F)/C=C/C(=O)O
Structure:
CAS RN: 436088-59-4
CAS Name: 5-[2-(4-morpholinyl)anilino]-5-oxopentanoic acid
OPENEYE Name: 5-(2-morpholinoanilino)-5-oxo-pentanoic acid
IUPAC Name: 5-(2-morpholin-4-ylanilino)-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[(2-morpholin-4-ylphenyl)amino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C15H20N2O4
MOLECULAR WEIGHT: 292.3303
SMILES: C1COCCN1C2=CC=CC=C2NC(=O)CCCC(=O)O
Structure:
CAS RN: 51865-77-1
CAS Name: (E)-3-(2-naphthalenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2-naphthyl)prop-2-enoic acid
IUPAC Name: (E)-3-naphthalen-2-ylprop-2-enoic acid
SYSTEMATIC NAME: (E)-3-naphthalen-2-ylprop-2-enoic acid
MOLECULAR FORMULA: C13H10O2
MOLECULAR WEIGHT: 198.2173
SMILES: C1=CC=C2C=C(C=CC2=C1)/C=C/C(=O)O
Structure:
CAS RN: 451-69-4
CAS Name: (E)-3-(2-fluorophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2-fluorophenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2-fluorophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2-fluorophenyl)prop-2-enoic acid
MOLECULAR FORMULA: C9H7FO2
MOLECULAR WEIGHT: 166.149083
SMILES: C1=CC=C(C(=C1)/C=C/C(=O)O)F
Structure:
CAS RN: 20595-29-3
CAS Name: (E)-3-(2-fluorophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2-fluorophenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2-fluorophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2-fluorophenyl)prop-2-enoic acid
MOLECULAR FORMULA: C9H7FO2
MOLECULAR WEIGHT: 166.149083
SMILES: C1=CC=C(C(=C1)/C=C/C(=O)O)F
Structure:
CAS RN: 1851-09-8
CAS Name: 2-(4-chlorophenyl)sulfonylacetonitrile
OPENEYE Name: 2-(4-chlorophenyl)sulfonylacetonitrile
IUPAC Name: 2-(4-chlorophenyl)sulfonylacetonitrile
SYSTEMATIC NAME: 2-(4-chlorophenyl)sulfonylethanenitrile
MOLECULAR FORMULA: C8H6ClNO2S
MOLECULAR WEIGHT: 215.65674
SMILES: C1=CC(=CC=C1S(=O)(=O)CC#N)Cl
Structure:
CAS RN: 5000-44-2
CAS Name: 1-(benzenesulfonyl)-2-propanone
OPENEYE Name: 1-(benzenesulfonyl)propan-2-one
IUPAC Name: 1-(benzenesulfonyl)propan-2-one
SYSTEMATIC NAME: 1-(phenylsulfonyl)propan-2-one
MOLECULAR FORMULA: C9H10O3S
MOLECULAR WEIGHT: 198.2389
SMILES: CC(=O)CS(=O)(=O)C1=CC=CC=C1
Structure:
CAS RN: 6523-49-5
CAS Name: 4-(1,2,4-triazol-1-yl)aniline
OPENEYE Name: 4-(1,2,4-triazol-1-yl)aniline
IUPAC Name: 4-(1,2,4-triazol-1-yl)aniline
SYSTEMATIC NAME: 4-(1,2,4-triazol-1-yl)aniline
MOLECULAR FORMULA: C8H8N4
MOLECULAR WEIGHT: 160.17592
SMILES: C1=CC(=CC=C1N)N2C=NC=N2
Structure:
CAS RN: 18450-26-5
CAS Name: 3-formyl-1H-indole-2-carboxylic acid methyl ester
OPENEYE Name: methyl 3-formyl-1H-indole-2-carboxylate
IUPAC Name: methyl 3-formyl-1H-indole-2-carboxylate
SYSTEMATIC NAME: methyl 3-methanoyl-1H-indole-2-carboxylate
MOLECULAR FORMULA: C11H9NO3
MOLECULAR WEIGHT: 203.19406
SMILES: COC(=O)C1=C(C2=CC=CC=C2N1)C=O
Structure:
CAS RN: 50413-24-6
CAS Name: 2-bromo-1-(4-methylsulfonylphenyl)ethanone
OPENEYE Name: 2-bromo-1-(4-methylsulfonylphenyl)ethanone
IUPAC Name: 2-bromo-1-(4-methylsulfonylphenyl)ethanone
SYSTEMATIC NAME: 2-bromanyl-1-(4-methylsulfonylphenyl)ethanone
MOLECULAR FORMULA: C9H9BrO3S
MOLECULAR WEIGHT: 277.13496
SMILES: CS(=O)(=O)C1=CC=C(C=C1)C(=O)CBr
Structure:
CAS RN: 19970-80-0
CAS Name: (E)-3-chloro-2,3-bis(4-methoxyphenyl)-2-propenal
OPENEYE Name: (E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-enal
IUPAC Name: (E)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-enal
SYSTEMATIC NAME: (E)-3-chloranyl-2,3-bis(4-methoxyphenyl)prop-2-enal
MOLECULAR FORMULA: C17H15ClO3
MOLECULAR WEIGHT: 302.7522
SMILES: COC1=CC=C(C=C1)/C(=C(/C2=CC=C(C=C2)OC)\Cl)/C=O
Structure:
CAS RN: 175277-91-5
CAS Name: N1-propan-2-yl-4-(trifluoromethyl)benzene-1,2-diamine
OPENEYE Name: N1-isopropyl-4-(trifluoromethyl)benzene-1,2-diamine
IUPAC Name: 1-N-propan-2-yl-4-(trifluoromethyl)benzene-1,2-diamine
SYSTEMATIC NAME: N1-propan-2-yl-4-(trifluoromethyl)benzene-1,2-diamine
MOLECULAR FORMULA: C10H13F3N2
MOLECULAR WEIGHT: 218.21883
SMILES: CC(C)NC1=C(C=C(C=C1)C(F)(F)F)N
Structure:
CAS RN: 13636-54-9
CAS Name: (2,4,6-trimethylphenyl)hydrazine
OPENEYE Name: (2,4,6-trimethylphenyl)hydrazine
IUPAC Name: (2,4,6-trimethylphenyl)hydrazine
SYSTEMATIC NAME: (2,4,6-trimethylphenyl)diazane
MOLECULAR FORMULA: C9H14N2
MOLECULAR WEIGHT: 150.22086
SMILES: CC1=CC(=C(C(=C1)C)NN)C
Structure:
CAS RN: 36283-44-0
CAS Name: N-[(1R)-1-phenylethyl]acetamide
OPENEYE Name: N-[(1R)-1-phenylethyl]acetamide
IUPAC Name: N-[(1R)-1-phenylethyl]acetamide
SYSTEMATIC NAME: N-[(1R)-1-phenylethyl]ethanamide
MOLECULAR FORMULA: C10H13NO
MOLECULAR WEIGHT: 163.21632
SMILES: C[C@H](C1=CC=CC=C1)NC(=O)C
Structure:
CAS RN: 243644-03-3
CAS Name: 2-chloro-N-(2,3,4-trifluorophenyl)acetamide
OPENEYE Name: 2-chloro-N-(2,3,4-trifluorophenyl)acetamide
IUPAC Name: 2-chloro-N-(2,3,4-trifluorophenyl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide
MOLECULAR FORMULA: C8H5ClF3NO
MOLECULAR WEIGHT: 223.57961
SMILES: C1=CC(=C(C(=C1NC(=O)CCl)F)F)F
Structure:
CAS RN: 14719-83-6
CAS Name: 4-chloro-3-nitrobenzoic acid methyl ester
OPENEYE Name: methyl 4-chloro-3-nitro-benzoate
IUPAC Name: methyl 4-chloro-3-nitrobenzoate
SYSTEMATIC NAME: methyl 4-chloranyl-3-nitro-benzoate
MOLECULAR FORMULA: C8H6ClNO4
MOLECULAR WEIGHT: 215.59054
SMILES: COC(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]
Structure:
CAS RN: 52573-74-7
CAS Name: 2-cyano-N-propan-2-ylacetamide
OPENEYE Name: 2-cyano-N-isopropyl-acetamide
IUPAC Name: 2-cyano-N-propan-2-ylacetamide
SYSTEMATIC NAME: 2-cyano-N-propan-2-yl-ethanamide
MOLECULAR FORMULA: C6H10N2O
MOLECULAR WEIGHT: 126.1564
SMILES: CC(C)NC(=O)CC#N
Structure:
CAS RN: 119777-71-8
CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3-thienyl)prop-2-enoic acid
IUPAC Name: (E)-3-thiophen-3-ylprop-2-enoic acid
SYSTEMATIC NAME: (E)-3-thiophen-3-ylprop-2-enoic acid
MOLECULAR FORMULA: C7H6O2S
MOLECULAR WEIGHT: 154.18634
SMILES: C1=CSC=C1/C=C/C(=O)O
Structure:
CAS RN: 1195-52-4
CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3-thienyl)prop-2-enoic acid
IUPAC Name: (E)-3-thiophen-3-ylprop-2-enoic acid
SYSTEMATIC NAME: (E)-3-thiophen-3-ylprop-2-enoic acid
MOLECULAR FORMULA: C7H6O2S
MOLECULAR WEIGHT: 154.18634
SMILES: C1=CSC=C1/C=C/C(=O)O
Structure:
CAS RN: 102696-71-9
CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3-thienyl)prop-2-enoic acid
IUPAC Name: (E)-3-thiophen-3-ylprop-2-enoic acid
SYSTEMATIC NAME: (E)-3-thiophen-3-ylprop-2-enoic acid
MOLECULAR FORMULA: C7H6O2S
MOLECULAR WEIGHT: 154.18634
SMILES: C1=CSC=C1/C=C/C(=O)O
Structure:
CAS RN: 6964-16-5
CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoic acid
MOLECULAR FORMULA: C10H9BrO4
MOLECULAR WEIGHT: 273.08006
SMILES: COC1=C(C(=CC(=C1)/C=C/C(=O)O)Br)O
Structure:
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