CAS RN: 63-91-2
CAS Name: (2S)-2-ammonio-3-phenylpropanoate
OPENEYE Name: (2S)-2-azaniumyl-3-phenyl-propanoate
IUPAC Name: (2S)-2-azaniumyl-3-phenylpropanoate
SYSTEMATIC NAME: (2S)-2-azaniumyl-3-phenyl-propanoate
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 482-05-3
CAS Name: 2-(2-carboxylatophenyl)benzoate
OPENEYE Name: 2-(2-carboxylatophenyl)benzoate
IUPAC Name: 2-(2-carboxylatophenyl)benzoate
SYSTEMATIC NAME: 2-(2-carboxylatophenyl)benzoate
MOLECULAR FORMULA: C14H8O4-2
MOLECULAR WEIGHT: 240.21092
SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)[O-])C(=O)[O-]
Structure:
CAS RN: 89852-17-5
CAS Name: 2-[(2S)-3-oxo-2-piperazin-1-iumyl]acetic acid methyl ester
OPENEYE Name: methyl 2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetate
IUPAC Name: methyl 2-[(2S)-3-oxopiperazin-1-ium-2-yl]acetate
SYSTEMATIC NAME: methyl 2-[(2S)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanoate
MOLECULAR FORMULA: C7H13N2O3+
MOLECULAR WEIGHT: 173.18972
SMILES: COC(=O)C[C@H]1C(=O)NCC[NH2+]1
Structure:
CAS RN: 59725-59-6
CAS Name: 3-(2-benzoyloxyphenyl)propanoate
OPENEYE Name: 3-(2-benzoyloxyphenyl)propanoate
IUPAC Name: 3-(2-benzoyloxyphenyl)propanoate
SYSTEMATIC NAME: 3-[2-(phenylcarbonyloxy)phenyl]propanoate
MOLECULAR FORMULA: C16H13O4-
MOLECULAR WEIGHT: 269.27202
SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2CCC(=O)[O-]
Structure:
CAS RN: 85849-94-1
CAS Name: (2R)-2-(benzenesulfonamido)-3-methylbutanoate
OPENEYE Name: (2R)-2-(benzenesulfonamido)-3-methyl-butanoate
IUPAC Name: (2R)-2-(benzenesulfonamido)-3-methylbutanoate
SYSTEMATIC NAME: (2R)-3-methyl-2-(phenylsulfonylamino)butanoate
MOLECULAR FORMULA: C11H14NO4S-
MOLECULAR WEIGHT: 256.29816
SMILES: CC(C)[C@H](C(=O)[O-])NS(=O)(=O)C1=CC=CC=C1
Structure:
CAS RN: 85849-94-1
CAS Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoate
OPENEYE Name: (2S)-2-(benzenesulfonamido)-3-methyl-butanoate
IUPAC Name: (2S)-2-(benzenesulfonamido)-3-methylbutanoate
SYSTEMATIC NAME: (2S)-3-methyl-2-(phenylsulfonylamino)butanoate
MOLECULAR FORMULA: C11H14NO4S-
MOLECULAR WEIGHT: 256.29816
SMILES: CC(C)[C@@H](C(=O)[O-])NS(=O)(=O)C1=CC=CC=C1
Structure:
CAS RN: 26179-06-6
CAS Name: (4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-methyl-5-oxo-1-pyrazolecarbothioamide
OPENEYE Name: (4E)-4-[(2,5-dichlorophenyl)hydrazono]-3-methyl-5-oxo-pyrazole-1-carbothioamide
IUPAC Name: (4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-3-methyl-5-oxopyrazole-1-carbothioamide
SYSTEMATIC NAME: (4E)-4-[[2,5-bis(chloranyl)phenyl]hydrazinylidene]-3-methyl-5-oxidanylidene-pyrazole-1-carbothioamide
MOLECULAR FORMULA: C11H9Cl2N5OS
MOLECULAR WEIGHT: 330.19306
SMILES: CC\1=NN(C(=O)/C1=N/NC2=C(C=CC(=C2)Cl)Cl)C(=S)N
Structure:
CAS RN: 16498-81-0
CAS Name: 2-methoxy-3-pyridinecarboxylate
OPENEYE Name: 2-methoxypyridine-3-carboxylate
IUPAC Name: 2-methoxypyridine-3-carboxylate
SYSTEMATIC NAME: 2-methoxypyridine-3-carboxylate
MOLECULAR FORMULA: C7H6NO3-
MOLECULAR WEIGHT: 152.12744
SMILES: COC1=C(C=CC=N1)C(=O)[O-]
Structure:
CAS RN: 436811-08-4
CAS Name: 4-[(3aS,4S,9bS)-6-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
OPENEYE Name: 4-[(3aS,4S,9bS)-6-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
IUPAC Name: 4-[(3aS,4S,9bS)-6-fluoro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
SYSTEMATIC NAME: 4-[(3aS,4S,9bS)-6-fluoranyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoate
MOLECULAR FORMULA: C19H15FNO2-
MOLECULAR WEIGHT: 308.326303
SMILES: C1C=C[C@H]2[C@H]1[C@H](NC3=C2C=CC=C3F)C4=CC=C(C=C4)C(=O)[O-]
Structure:
CAS RN: 73219-92-8
CAS Name: 3-bromo-5-chloro-2,6-dimethoxybenzoate
OPENEYE Name: 3-bromo-5-chloro-2,6-dimethoxy-benzoate
IUPAC Name: 3-bromo-5-chloro-2,6-dimethoxybenzoate
SYSTEMATIC NAME: 3-bromanyl-5-chloranyl-2,6-dimethoxy-benzoate
MOLECULAR FORMULA: C9H7BrClO4-
MOLECULAR WEIGHT: 294.50648
SMILES: COC1=C(C(=C(C=C1Cl)Br)OC)C(=O)[O-]
Structure:
CAS RN: 175135-56-5
CAS Name: 3-chloro-2,6-dimethoxy-5-nitrobenzoate
OPENEYE Name: 3-chloro-2,6-dimethoxy-5-nitro-benzoate
IUPAC Name: 3-chloro-2,6-dimethoxy-5-nitrobenzoate
SYSTEMATIC NAME: 3-chloranyl-2,6-dimethoxy-5-nitro-benzoate
MOLECULAR FORMULA: C9H7ClNO6-
MOLECULAR WEIGHT: 260.60798
SMILES: COC1=C(C(=C(C=C1[N+](=O)[O-])Cl)OC)C(=O)[O-]
Structure:
CAS RN: 73219-91-7
CAS Name: 3,5-dichloro-2,6-dimethoxybenzoate
OPENEYE Name: 3,5-dichloro-2,6-dimethoxy-benzoate
IUPAC Name: 3,5-dichloro-2,6-dimethoxybenzoate
SYSTEMATIC NAME: 3,5-bis(chloranyl)-2,6-dimethoxy-benzoate
MOLECULAR FORMULA: C9H7Cl2O4-
MOLECULAR WEIGHT: 250.05548
SMILES: COC1=C(C(=C(C=C1Cl)Cl)OC)C(=O)[O-]
Structure:
CAS RN: 73219-89-3
CAS Name: 3-bromo-2,6-dimethoxybenzoate
OPENEYE Name: 3-bromo-2,6-dimethoxy-benzoate
IUPAC Name: 3-bromo-2,6-dimethoxybenzoate
SYSTEMATIC NAME: 3-bromanyl-2,6-dimethoxy-benzoate
MOLECULAR FORMULA: C9H8BrO4-
MOLECULAR WEIGHT: 260.06142
SMILES: COC1=C(C(=C(C=C1)Br)OC)C(=O)[O-]
Structure:
CAS RN: 51362-37-9
CAS Name: 2-(4-chlorophenoxy)-3-pyridinecarboxylate
OPENEYE Name: 2-(4-chlorophenoxy)pyridine-3-carboxylate
IUPAC Name: 2-(4-chlorophenoxy)pyridine-3-carboxylate
SYSTEMATIC NAME: 2-(4-chloranylphenoxy)pyridine-3-carboxylate
MOLECULAR FORMULA: C12H7ClNO3-
MOLECULAR WEIGHT: 248.64188
SMILES: C1=CC(=C(N=C1)OC2=CC=C(C=C2)Cl)C(=O)[O-]
Structure:
CAS RN: 134997-87-8
CAS Name: 3-oxo-4H-1,4-benzoxazine-6-carboxylate
OPENEYE Name: 3-oxo-4H-1,4-benzoxazine-6-carboxylate
IUPAC Name: 3-oxo-4H-1,4-benzoxazine-6-carboxylate
SYSTEMATIC NAME: 3-oxidanylidene-4H-1,4-benzoxazine-6-carboxylate
MOLECULAR FORMULA: C9H6NO4-
MOLECULAR WEIGHT: 192.14824
SMILES: C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)[O-]
Structure:
CAS RN: 74470-23-8
CAS Name: 2-(methylthio)-3-pyridinecarboxylate
OPENEYE Name: 2-methylsulfanylpyridine-3-carboxylate
IUPAC Name: 2-methylsulfanylpyridine-3-carboxylate
SYSTEMATIC NAME: 2-methylsulfanylpyridine-3-carboxylate
MOLECULAR FORMULA: C7H6NO2S-
MOLECULAR WEIGHT: 168.19304
SMILES: CSC1=C(C=CC=N1)C(=O)[O-]
Structure:
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