CAS RN: 84501-28-0
CAS Name: 5-tert-butyl-2-hydroxybenzene-1,3-dicarboxaldehyde
OPENEYE Name: 5-tert-butyl-2-hydroxy-benzene-1,3-dicarbaldehyde
IUPAC Name: 5-tert-butyl-2-hydroxybenzene-1,3-dicarbaldehyde
SYSTEMATIC NAME: 5-tert-butyl-2-oxidanyl-benzene-1,3-dicarbaldehyde
MOLECULAR FORMULA: C12H14O3
MOLECULAR WEIGHT: 206.23776
SMILES: CC(C)(C)C1=CC(=C(C(=C1)C=O)O)C=O
Structure:
CAS RN: 5467-72-1
CAS Name: 2-amino-1-(4-bromophenyl)ethanone hydrochloride
OPENEYE Name: 2-amino-1-(4-bromophenyl)ethanone hydrochloride
IUPAC Name: 2-amino-1-(4-bromophenyl)ethanone hydrochloride
SYSTEMATIC NAME: 2-azanyl-1-(4-bromophenyl)ethanone hydrochloride
MOLECULAR FORMULA: C8H9BrClNO
MOLECULAR WEIGHT: 250.52016
SMILES: C1=CC(=CC=C1C(=O)CN)Br.Cl
Structure:
CAS RN: 5467-71-0
CAS Name: 2-amino-1-(4-chlorophenyl)ethanone hydrochloride
OPENEYE Name: 2-amino-1-(4-chlorophenyl)ethanone hydrochloride
IUPAC Name: 2-amino-1-(4-chlorophenyl)ethanone hydrochloride
SYSTEMATIC NAME: 2-azanyl-1-(4-chlorophenyl)ethanone hydrochloride
MOLECULAR FORMULA: C8H9Cl2NO
MOLECULAR WEIGHT: 206.06916
SMILES: C1=CC(=CC=C1C(=O)CN)Cl.Cl
Structure:
CAS RN: 72652-32-5
CAS Name: 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone
OPENEYE Name: 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloro-ethanone
IUPAC Name: 1-(4-bromo-1H-pyrrol-2-yl)-2,2,2-trichloroethanone
SYSTEMATIC NAME: 1-(4-bromanyl-1H-pyrrol-2-yl)-2,2,2-tris(chloranyl)ethanone
MOLECULAR FORMULA: C6H3BrCl3NO
MOLECULAR WEIGHT: 291.35712
SMILES: C1=C(NC=C1Br)C(=O)C(Cl)(Cl)Cl
Structure:
CAS RN: 259683-56-2
CAS Name: 1-(2-formylphenyl)-4-piperidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-(2-formylphenyl)piperidine-4-carboxylate
IUPAC Name: ethyl 1-(2-formylphenyl)piperidine-4-carboxylate
SYSTEMATIC NAME: ethyl 1-(2-methanoylphenyl)piperidine-4-carboxylate
MOLECULAR FORMULA: C15H19NO3
MOLECULAR WEIGHT: 261.31626
SMILES: CCOC(=O)C1CCN(CC1)C2=CC=CC=C2C=O
Structure:
CAS RN: 50496-23-6
CAS Name: 1-(4-phenylphenyl)-3-(1-piperidinyl)-1-propanone hydrochloride
OPENEYE Name: 1-(4-phenylphenyl)-3-(1-piperidyl)propan-1-one hydrochloride
IUPAC Name: 1-(4-phenylphenyl)-3-piperidin-1-ylpropan-1-one hydrochloride
SYSTEMATIC NAME: 1-(4-phenylphenyl)-3-piperidin-1-yl-propan-1-one hydrochloride
MOLECULAR FORMULA: C20H24ClNO
MOLECULAR WEIGHT: 329.86366
SMILES: C1CCN(CC1)CCC(=O)C2=CC=C(C=C2)C3=CC=CC=C3.Cl
Structure:
CAS RN: 97165-77-0
CAS Name: 3,5-dibromobenzonitrile
OPENEYE Name: 3,5-dibromobenzonitrile
IUPAC Name: 3,5-dibromobenzonitrile
SYSTEMATIC NAME: 3,5-bis(bromanyl)benzenecarbonitrile
MOLECULAR FORMULA: C7H3Br2N
MOLECULAR WEIGHT: 260.91342
SMILES: C1=C(C=C(C=C1Br)Br)C#N
Structure:
CAS RN: 56978-48-4
CAS Name: 4-bromo-2,3-dichloroaniline
OPENEYE Name: 4-bromo-2,3-dichloro-aniline
IUPAC Name: 4-bromo-2,3-dichloroaniline
SYSTEMATIC NAME: 4-bromanyl-2,3-bis(chloranyl)aniline
MOLECULAR FORMULA: C6H4BrCl2N
MOLECULAR WEIGHT: 240.91266
SMILES: C1=CC(=C(C(=C1N)Cl)Cl)Br
Structure:
CAS RN: 16441-34-2
CAS Name: 2-(2-phenyl-4-thiazolyl)acetic acid ethyl ester
OPENEYE Name: ethyl 2-(2-phenylthiazol-4-yl)acetate
IUPAC Name: ethyl 2-(2-phenyl-1,3-thiazol-4-yl)acetate
SYSTEMATIC NAME: ethyl 2-(2-phenyl-1,3-thiazol-4-yl)ethanoate
MOLECULAR FORMULA: C13H13NO2S
MOLECULAR WEIGHT: 247.31282
SMILES: CCOC(=O)CC1=CSC(=N1)C2=CC=CC=C2
Structure:
CAS RN: 93923-57-0
CAS Name: 2-[(4-amino-3-nitrophenyl)-oxomethyl]benzoic acid
OPENEYE Name: 2-(4-amino-3-nitro-benzoyl)benzoic acid
IUPAC Name: 2-(4-amino-3-nitrobenzoyl)benzoic acid
SYSTEMATIC NAME: 2-(4-azanyl-3-nitro-phenyl)carbonylbenzoic acid
MOLECULAR FORMULA: C14H10N2O5
MOLECULAR WEIGHT: 286.2396
SMILES: C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)N)[N+](=O)[O-])C(=O)O
Structure:
CAS RN: 88127-85-9
CAS Name: 5-chloro-4-(chloromethyl)thiadiazole
OPENEYE Name: 5-chloro-4-(chloromethyl)thiadiazole
IUPAC Name: 5-chloro-4-(chloromethyl)thiadiazole
SYSTEMATIC NAME: 5-chloranyl-4-(chloromethyl)-1,2,3-thiadiazole
MOLECULAR FORMULA: C3H2Cl2N2S
MOLECULAR WEIGHT: 169.03238
SMILES: C(C1=C(SN=N1)Cl)Cl
Structure:
CAS RN: 4604-72-2
CAS Name: 2-pyrazinecarbothioamide
OPENEYE Name: pyrazine-2-carbothioamide
IUPAC Name: pyrazine-2-carbothioamide
SYSTEMATIC NAME: pyrazine-2-carbothioamide
MOLECULAR FORMULA: C5H5N3S
MOLECULAR WEIGHT: 139.1783
SMILES: C1=CN=C(C=N1)C(=S)N
Structure:
CAS RN: 30877-81-7
CAS Name: 1-[3-amino-4-(1-piperidinyl)phenyl]ethanone
OPENEYE Name: 1-[3-amino-4-(1-piperidyl)phenyl]ethanone
IUPAC Name: 1-(3-amino-4-piperidin-1-ylphenyl)ethanone
SYSTEMATIC NAME: 1-(3-azanyl-4-piperidin-1-yl-phenyl)ethanone
MOLECULAR FORMULA: C13H18N2O
MOLECULAR WEIGHT: 218.29482
SMILES: CC(=O)C1=CC(=C(C=C1)N2CCCCC2)N
Structure:
CAS RN: 4738-49-2
CAS Name: 2,6-dichloro-N'-[2-[(2,5-dimethoxy-4-nitrophenyl)thio]-1-oxoethyl]benzohydrazide
OPENEYE Name: 2,6-dichloro-N'-[2-(2,5-dimethoxy-4-nitro-phenyl)sulfanylacetyl]benzohydrazide
IUPAC Name: 2,6-dichloro-N'-[2-(2,5-dimethoxy-4-nitrophenyl)sulfanylacetyl]benzohydrazide
SYSTEMATIC NAME: 2,6-bis(chloranyl)-N'-[2-(2,5-dimethoxy-4-nitro-phenyl)sulfanylethanoyl]benzohydrazide
MOLECULAR FORMULA: C17H15Cl2N3O6S
MOLECULAR WEIGHT: 460.2885
SMILES: COC1=CC(=C(C=C1[N+](=O)[O-])OC)SCC(=O)NNC(=O)C2=C(C=CC=C2Cl)Cl
Structure:
CAS RN: 166964-35-8
CAS Name: 4-bromo-5-chloro-2-thiophenesulfonyl chloride
OPENEYE Name: 4-bromo-5-chloro-thiophene-2-sulfonyl chloride
IUPAC Name: 4-bromo-5-chlorothiophene-2-sulfonyl chloride
SYSTEMATIC NAME: 4-bromanyl-5-chloranyl-thiophene-2-sulfonyl chloride
MOLECULAR FORMULA: C4HBrCl2O2S2
MOLECULAR WEIGHT: 295.98954
SMILES: C1=C(SC(=C1Br)Cl)S(=O)(=O)Cl
Structure:
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