CAS RN: 80832-54-8
CAS Name: 5-ethoxy-2-hydroxybenzaldehyde
OPENEYE Name: 5-ethoxy-2-hydroxy-benzaldehyde
IUPAC Name: 5-ethoxy-2-hydroxybenzaldehyde
SYSTEMATIC NAME: 5-ethoxy-2-oxidanyl-benzaldehyde
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CCOC1=CC(=C(C=C1)O)C=O
Structure:
CAS RN: 5109-97-7
CAS Name: 2-(3-pyridinyl)-4-quinolinecarbohydrazide
OPENEYE Name: 2-(3-pyridyl)quinoline-4-carbohydrazide
IUPAC Name: 2-pyridin-3-ylquinoline-4-carbohydrazide
SYSTEMATIC NAME: 2-pyridin-3-ylquinoline-4-carbohydrazide
MOLECULAR FORMULA: C15H12N4O
MOLECULAR WEIGHT: 264.28198
SMILES: C1=CC=C2C(=C1)C(=CC(=N2)C3=CN=CC=C3)C(=O)NN
Structure:
CAS RN: 72216-06-9
CAS Name: 2-(4-fluorophenyl)pyrrolidine
OPENEYE Name: 2-(4-fluorophenyl)pyrrolidine
IUPAC Name: 2-(4-fluorophenyl)pyrrolidine
SYSTEMATIC NAME: 2-(4-fluorophenyl)pyrrolidine
MOLECULAR FORMULA: C10H12FN
MOLECULAR WEIGHT: 165.207383
SMILES: C1CC(NC1)C2=CC=C(C=C2)F
Structure:
CAS RN: 4387-31-9
CAS Name: 4-chloro-3-methylbenzonitrile
OPENEYE Name: 4-chloro-3-methyl-benzonitrile
IUPAC Name: 4-chloro-3-methylbenzonitrile
SYSTEMATIC NAME: 4-chloranyl-3-methyl-benzenecarbonitrile
MOLECULAR FORMULA: C8H6ClN
MOLECULAR WEIGHT: 151.59294
SMILES: CC1=C(C=CC(=C1)C#N)Cl
Structure:
CAS RN: 80141-93-1
CAS Name: 2-(4-fluoro-2-methylphenyl)acetonitrile
OPENEYE Name: 2-(4-fluoro-2-methyl-phenyl)acetonitrile
IUPAC Name: 2-(4-fluoro-2-methylphenyl)acetonitrile
SYSTEMATIC NAME: 2-(4-fluoranyl-2-methyl-phenyl)ethanenitrile
MOLECULAR FORMULA: C9H8FN
MOLECULAR WEIGHT: 149.164923
SMILES: CC1=C(C=CC(=C1)F)CC#N
Structure:
CAS RN: 88508-44-5
CAS Name: 5-amino-2-methoxybenzenesulfonamide
OPENEYE Name: 5-amino-2-methoxy-benzenesulfonamide
IUPAC Name: 5-amino-2-methoxybenzenesulfonamide
SYSTEMATIC NAME: 5-azanyl-2-methoxy-benzenesulfonamide
MOLECULAR FORMULA: C7H10N2O3S
MOLECULAR WEIGHT: 202.2309
SMILES: COC1=C(C=C(C=C1)N)S(=O)(=O)N
Structure:
CAS RN: 73305-12-1
CAS Name: 1-amino-3-(2-nitrophenyl)thiourea
OPENEYE Name: 1-amino-3-(2-nitrophenyl)thiourea
IUPAC Name: 1-amino-3-(2-nitrophenyl)thiourea
SYSTEMATIC NAME: 1-azanyl-3-(2-nitrophenyl)thiourea
MOLECULAR FORMULA: C7H8N4O2S
MOLECULAR WEIGHT: 212.22902
SMILES: C1=CC=C(C(=C1)NC(=S)NN)[N+](=O)[O-]
Structure:
CAS RN: 667413-38-9
CAS Name: 3-[(3,5-dimethylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-allyl-3-[(3,5-dimethylphenoxy)methyl]-1H-1,2,4-triazole-5-thione
IUPAC Name: 3-[(3,5-dimethylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 3-[(3,5-dimethylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C14H17N3OS
MOLECULAR WEIGHT: 275.36928
SMILES: CC1=CC(=CC(=C1)OCC2=NNC(=S)N2CC=C)C
Structure:
CAS RN: 82477-61-0
CAS Name: 2-chloro-4,6-dimethoxybenzaldehyde
OPENEYE Name: 2-chloro-4,6-dimethoxy-benzaldehyde
IUPAC Name: 2-chloro-4,6-dimethoxybenzaldehyde
SYSTEMATIC NAME: 2-chloranyl-4,6-dimethoxy-benzaldehyde
MOLECULAR FORMULA: C9H9ClO3
MOLECULAR WEIGHT: 200.61896
SMILES: COC1=CC(=C(C(=C1)Cl)C=O)OC
Structure:
CAS RN: 87100-28-5
CAS Name: 4,4,5,5-tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane
OPENEYE Name: 2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
IUPAC Name: 2-benzyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SYSTEMATIC NAME: 4,4,5,5-tetramethyl-2-(phenylmethyl)-1,3,2-dioxaborolane
MOLECULAR FORMULA: C13H19BO2
MOLECULAR WEIGHT: 218.09976
SMILES: B1(OC(C(O1)(C)C)(C)C)CC2=CC=CC=C2
Structure:
CAS RN: 438216-68-3
CAS Name: 6-methyl-2-(3-methylphenyl)-4-quinolinecarboxylic acid
OPENEYE Name: 6-methyl-2-(m-tolyl)quinoline-4-carboxylic acid
IUPAC Name: 6-methyl-2-(3-methylphenyl)quinoline-4-carboxylic acid
SYSTEMATIC NAME: 6-methyl-2-(3-methylphenyl)quinoline-4-carboxylic acid
MOLECULAR FORMULA: C18H15NO2
MOLECULAR WEIGHT: 277.3172
SMILES: CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=CC=C3)C
Structure:
CAS RN: 3374-05-8
CAS Name: sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
OPENEYE Name: sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
IUPAC Name: sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SYSTEMATIC NAME: sodium 1-ethyl-7-methyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylate
MOLECULAR FORMULA: C12H11N2NaO3
MOLECULAR WEIGHT: 254.21711
SMILES: CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)[O-].[Na+]
Structure:
CAS RN: 15769-77-4
CAS Name: sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
OPENEYE Name: sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
IUPAC Name: sodium 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylate
SYSTEMATIC NAME: sodium 1-ethyl-7-methyl-4-oxidanylidene-1,8-naphthyridine-3-carboxylate
MOLECULAR FORMULA: C12H11N2NaO3
MOLECULAR WEIGHT: 254.21711
SMILES: CCN1C=C(C(=O)C2=C1N=C(C=C2)C)C(=O)[O-].[Na+]
Structure:
CAS RN: 14704-31-5
CAS Name: 1-(bromomethyl)-3-phenylbenzene
OPENEYE Name: 1-(bromomethyl)-3-phenyl-benzene
IUPAC Name: 1-(bromomethyl)-3-phenylbenzene
SYSTEMATIC NAME: 1-(bromomethyl)-3-phenyl-benzene
MOLECULAR FORMULA: C13H11Br
MOLECULAR WEIGHT: 247.13044
SMILES: C1=CC=C(C=C1)C2=CC(=CC=C2)CBr
Structure:
CAS RN: 667435-85-0
CAS Name: 4-ethyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
OPENEYE Name: 4-ethyl-3-(2-thienylmethyl)-1H-1,2,4-triazole-5-thione
IUPAC Name: 4-ethyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
SYSTEMATIC NAME: 4-ethyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione
MOLECULAR FORMULA: C9H11N3S2
MOLECULAR WEIGHT: 225.33374
SMILES: CCN1C(=NNC1=S)CC2=CC=CS2
Structure:
CAS RN: 861407-95-6
CAS Name: 2-amino-4-(3,4-dichlorophenyl)-3-thiophenecarbonitrile
OPENEYE Name: 2-amino-4-(3,4-dichlorophenyl)thiophene-3-carbonitrile
IUPAC Name: 2-amino-4-(3,4-dichlorophenyl)thiophene-3-carbonitrile
SYSTEMATIC NAME: 2-azanyl-4-(3,4-dichlorophenyl)thiophene-3-carbonitrile
MOLECULAR FORMULA: C11H6Cl2N2S
MOLECULAR WEIGHT: 269.14974
SMILES: C1=CC(=C(C=C1C2=CSC(=C2C#N)N)Cl)Cl
Structure:
CAS RN: 59086-25-8
CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid ethyl ester
OPENEYE Name: ethyl 4-oxo-4-(2-thienyl)butanoate
IUPAC Name: ethyl 4-oxo-4-thiophen-2-ylbutanoate
SYSTEMATIC NAME: ethyl 4-oxidanylidene-4-thiophen-2-yl-butanoate
MOLECULAR FORMULA: C10H12O3S
MOLECULAR WEIGHT: 212.26548
SMILES: CCOC(=O)CCC(=O)C1=CC=CS1
Structure:
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