CAS RN: 90798-84-8
CAS Name: 2-(4-chlorophenyl)-1,3-thiazinan-4-one
OPENEYE Name: 2-(4-chlorophenyl)-1,3-thiazinan-4-one
IUPAC Name: 2-(4-chlorophenyl)-1,3-thiazinan-4-one
SYSTEMATIC NAME: 2-(4-chlorophenyl)-1,3-thiazinan-4-one
MOLECULAR FORMULA: C10H10ClNOS
MOLECULAR WEIGHT: 227.7105
SMILES: C1CSC(NC1=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 90798-24-6
CAS Name: 2-(2,4-dichlorophenyl)-1,3-thiazinan-4-one
OPENEYE Name: 2-(2,4-dichlorophenyl)-1,3-thiazinan-4-one
IUPAC Name: 2-(2,4-dichlorophenyl)-1,3-thiazinan-4-one
SYSTEMATIC NAME: 2-(2,4-dichlorophenyl)-1,3-thiazinan-4-one
MOLECULAR FORMULA: C10H9Cl2NOS
MOLECULAR WEIGHT: 262.15556
SMILES: C1CSC(NC1=O)C2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 91193-56-5
CAS Name: 2-(2,4-dichlorophenyl)-3-methyl-1,3-thiazinan-4-one
OPENEYE Name: 2-(2,4-dichlorophenyl)-3-methyl-1,3-thiazinan-4-one
IUPAC Name: 2-(2,4-dichlorophenyl)-3-methyl-1,3-thiazinan-4-one
SYSTEMATIC NAME: 2-(2,4-dichlorophenyl)-3-methyl-1,3-thiazinan-4-one
MOLECULAR FORMULA: C11H11Cl2NOS
MOLECULAR WEIGHT: 276.18214
SMILES: CN1C(SCCC1=O)C2=C(C=C(C=C2)Cl)Cl
Structure:
CAS RN: 90917-99-0
CAS Name: 3-methyl-2-(3-pyridinyl)-1,3-thiazinan-4-one
OPENEYE Name: 3-methyl-2-(3-pyridyl)-1,3-thiazinan-4-one
IUPAC Name: 3-methyl-2-pyridin-3-yl-1,3-thiazinan-4-one
SYSTEMATIC NAME: 3-methyl-2-pyridin-3-yl-1,3-thiazinan-4-one
MOLECULAR FORMULA: C10H12N2OS
MOLECULAR WEIGHT: 208.28008
SMILES: CN1C(SCCC1=O)C2=CN=CC=C2
Structure:
CAS RN: 67044-07-9
CAS Name: 4,5-dioxo-1-prop-2-enyl-3-pyrrolidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl 1-allyl-4,5-dioxo-pyrrolidine-3-carboxylate
IUPAC Name: ethyl 4,5-dioxo-1-prop-2-enylpyrrolidine-3-carboxylate
SYSTEMATIC NAME: ethyl 4,5-bis(oxidanylidene)-1-prop-2-enyl-pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C10H13NO4
MOLECULAR WEIGHT: 211.21452
SMILES: CCOC(=O)C1CN(C(=O)C1=O)CC=C
Structure:
CAS RN: 400877-42-1
CAS Name: 1-(3,4-dichlorophenyl)-3-(2-hydroxyphenyl)urea
OPENEYE Name: 1-(3,4-dichlorophenyl)-3-(2-hydroxyphenyl)urea
IUPAC Name: 1-(3,4-dichlorophenyl)-3-(2-hydroxyphenyl)urea
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-3-(2-hydroxyphenyl)urea
MOLECULAR FORMULA: C13H10Cl2N2O2
MOLECULAR WEIGHT: 297.1367
SMILES: C1=CC=C(C(=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)O
Structure:
CAS RN: 3851-41-0
CAS Name: 1-(2-chloro-1,1,2-trifluoroethyl)indole
OPENEYE Name: 1-(2-chloro-1,1,2-trifluoro-ethyl)indole
IUPAC Name: 1-(2-chloro-1,1,2-trifluoroethyl)indole
SYSTEMATIC NAME: 1-[2-chloranyl-1,1,2-tris(fluoranyl)ethyl]indole
MOLECULAR FORMULA: C10H7ClF3N
MOLECULAR WEIGHT: 233.61749
SMILES: C1=CC=C2C(=C1)C=CN2C(C(F)Cl)(F)F
Structure:
CAS RN: 10572-16-4
CAS Name: 3-(4-nitrophenoxy)propanoic acid
OPENEYE Name: 3-(4-nitrophenoxy)propanoic acid
IUPAC Name: 3-(4-nitrophenoxy)propanoic acid
SYSTEMATIC NAME: 3-(4-nitrophenoxy)propanoic acid
MOLECULAR FORMULA: C9H9NO5
MOLECULAR WEIGHT: 211.17146
SMILES: C1=CC(=CC=C1[N+](=O)[O-])OCCC(=O)O
Structure:
CAS RN: 19094-76-9
CAS Name: 2-(2,4,5-trimethylphenoxy)acetic acid
OPENEYE Name: 2-(2,4,5-trimethylphenoxy)acetic acid
IUPAC Name: 2-(2,4,5-trimethylphenoxy)acetic acid
SYSTEMATIC NAME: 2-(2,4,5-trimethylphenoxy)ethanoic acid
MOLECULAR FORMULA: C11H14O3
MOLECULAR WEIGHT: 194.22706
SMILES: CC1=CC(=C(C=C1C)OCC(=O)O)C
Structure:
CAS RN: 2929-84-2
CAS Name: 4-(dimethylamino)benzaldehyde oxime
OPENEYE Name: 4-(dimethylamino)benzaldehyde oxime
IUPAC Name: N-[[4-(dimethylamino)phenyl]methylidene]hydroxylamine
SYSTEMATIC NAME: N-[[4-(dimethylamino)phenyl]methylidene]hydroxylamine
MOLECULAR FORMULA: C9H12N2O
MOLECULAR WEIGHT: 164.20438
SMILES: CN(C)C1=CC=C(C=C1)C=NO
Structure:
CAS RN: 3251-30-7
CAS Name: 2-(2-ethoxyphenoxy)acetic acid
OPENEYE Name: 2-(2-ethoxyphenoxy)acetic acid
IUPAC Name: 2-(2-ethoxyphenoxy)acetic acid
SYSTEMATIC NAME: 2-(2-ethoxyphenoxy)ethanoic acid
MOLECULAR FORMULA: C10H12O4
MOLECULAR WEIGHT: 196.19988
SMILES: CCOC1=CC=CC=C1OCC(=O)O
Structure:
CAS RN: 1010-70-4
CAS Name: 3-hydroxy-2-methyl-4-quinazolinone
OPENEYE Name: 3-hydroxy-2-methyl-quinazolin-4-one
IUPAC Name: 3-hydroxy-2-methylquinazolin-4-one
SYSTEMATIC NAME: 2-methyl-3-oxidanyl-quinazolin-4-one
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: CC1=NC2=CC=CC=C2C(=O)N1O
Structure:
CAS RN: 16429-44-0
CAS Name: 5-bromo-3-chlorobenzene-1,2-diamine
OPENEYE Name: 5-bromo-3-chloro-benzene-1,2-diamine
IUPAC Name: 5-bromo-3-chlorobenzene-1,2-diamine
SYSTEMATIC NAME: 5-bromanyl-3-chloranyl-benzene-1,2-diamine
MOLECULAR FORMULA: C6H6BrClN2
MOLECULAR WEIGHT: 221.48224
SMILES: C1=C(C=C(C(=C1Cl)N)N)Br
Structure:
CAS RN: 46417-99-6
CAS Name: 2-nitro-1-(4-nitrophenyl)ethanone
OPENEYE Name: 2-nitro-1-(4-nitrophenyl)ethanone
IUPAC Name: 2-nitro-1-(4-nitrophenyl)ethanone
SYSTEMATIC NAME: 2-nitro-1-(4-nitrophenyl)ethanone
MOLECULAR FORMULA: C8H6N2O5
MOLECULAR WEIGHT: 210.14364
SMILES: C1=CC(=CC=C1C(=O)C[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 59794-34-2
CAS Name: 2-(2-sulfanylidene-1,3-benzothiazol-3-yl)acetic acid
OPENEYE Name: 2-(2-thioxo-1,3-benzothiazol-3-yl)acetic acid
IUPAC Name: 2-(2-sulfanylidene-1,3-benzothiazol-3-yl)acetic acid
SYSTEMATIC NAME: 2-(2-sulfanylidene-1,3-benzothiazol-3-yl)ethanoic acid
MOLECULAR FORMULA: C9H7NO2S2
MOLECULAR WEIGHT: 225.28738
SMILES: C1=CC=C2C(=C1)N(C(=S)S2)CC(=O)O
Structure:
CAS RN: 21665-29-2
CAS Name: N-[2-(dimethylamino)phenyl]formamide
OPENEYE Name: N-[2-(dimethylamino)phenyl]formamide
IUPAC Name: N-[2-(dimethylamino)phenyl]formamide
SYSTEMATIC NAME: N-[2-(dimethylamino)phenyl]methanamide
MOLECULAR FORMULA: C9H12N2O
MOLECULAR WEIGHT: 164.20438
SMILES: CN(C)C1=CC=CC=C1NC=O
Structure:
CAS RN: 1046-76-0
CAS Name: 1-(4-chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene
OPENEYE Name: 1-(4-chloro-3-nitro-phenyl)sulfinyl-2,4-dinitro-benzene
IUPAC Name: 1-(4-chloro-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene
SYSTEMATIC NAME: 1-(4-chloranyl-3-nitro-phenyl)sulfinyl-2,4-dinitro-benzene
MOLECULAR FORMULA: C12H6ClN3O7S
MOLECULAR WEIGHT: 371.70994
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]
Structure:
CAS RN: 1046-75-9
CAS Name: 1-(4-bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene
OPENEYE Name: 1-(4-bromo-3-nitro-phenyl)sulfinyl-2,4-dinitro-benzene
IUPAC Name: 1-(4-bromo-3-nitrophenyl)sulfinyl-2,4-dinitrobenzene
SYSTEMATIC NAME: 1-(4-bromanyl-3-nitro-phenyl)sulfinyl-2,4-dinitro-benzene
MOLECULAR FORMULA: C12H6BrN3O7S
MOLECULAR WEIGHT: 416.16094
SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])S(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]
Structure:
CAS RN: 46729-91-3
CAS Name: 1-(3,4-dimethoxyphenyl)-2-nitroethanone
OPENEYE Name: 1-(3,4-dimethoxyphenyl)-2-nitro-ethanone
IUPAC Name: 1-(3,4-dimethoxyphenyl)-2-nitroethanone
SYSTEMATIC NAME: 1-(3,4-dimethoxyphenyl)-2-nitro-ethanone
MOLECULAR FORMULA: C10H11NO5
MOLECULAR WEIGHT: 225.19804
SMILES: COC1=C(C=C(C=C1)C(=O)C[N+](=O)[O-])OC
Structure:
CAS RN: 46270-50-2
CAS Name: 1-(2-methoxyphenyl)-2-nitroethanone
OPENEYE Name: 1-(2-methoxyphenyl)-2-nitro-ethanone
IUPAC Name: 1-(2-methoxyphenyl)-2-nitroethanone
SYSTEMATIC NAME: 1-(2-methoxyphenyl)-2-nitro-ethanone
MOLECULAR FORMULA: C9H9NO4
MOLECULAR WEIGHT: 195.17206
SMILES: COC1=CC=CC=C1C(=O)C[N+](=O)[O-]
Structure:
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