CAS RN: 10493-37-5
CAS Name: 2-(4-acetylanilino)-2-oxoacetic acid
OPENEYE Name: 2-(4-acetylanilino)-2-oxo-acetic acid
IUPAC Name: 2-(4-acetylanilino)-2-oxoacetic acid
SYSTEMATIC NAME: 2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethanoic acid
MOLECULAR FORMULA: C10H9NO4
MOLECULAR WEIGHT: 207.18276
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)C(=O)O
Structure:
CAS RN: 7251-05-0
CAS Name: 2-oxo-2-[(phenylmethyl)amino]acetic acid
OPENEYE Name: 2-(benzylamino)-2-oxo-acetic acid
IUPAC Name: 2-(benzylamino)-2-oxoacetic acid
SYSTEMATIC NAME: 2-oxidanylidene-2-[(phenylmethyl)amino]ethanoic acid
MOLECULAR FORMULA: C9H9NO3
MOLECULAR WEIGHT: 179.17266
SMILES: C1=CC=C(C=C1)CNC(=O)C(=O)O
Structure:
CAS RN: 66938-30-5
CAS Name: 2-(4-methylphenyl)acetamide
OPENEYE Name: 2-(p-tolyl)acetamide
IUPAC Name: 2-(4-methylphenyl)acetamide
SYSTEMATIC NAME: 2-(4-methylphenyl)ethanamide
MOLECULAR FORMULA: C9H11NO
MOLECULAR WEIGHT: 149.18974
SMILES: CC1=CC=C(C=C1)CC(=O)N
Structure:
CAS RN: 603-23-6
CAS Name: 3-phenyl-1H-quinazoline-2,4-dione
OPENEYE Name: 3-phenyl-1H-quinazoline-2,4-dione
IUPAC Name: 3-phenyl-1H-quinazoline-2,4-dione
SYSTEMATIC NAME: 3-phenyl-1H-quinazoline-2,4-dione
MOLECULAR FORMULA: C14H10N2O2
MOLECULAR WEIGHT: 238.2414
SMILES: C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NC2=O
Structure:
CAS RN: 5425-22-9
CAS Name: 1,3-diphenylpropane-2,2-dithiol
OPENEYE Name: 1,3-diphenylpropane-2,2-dithiol
IUPAC Name: 1,3-diphenylpropane-2,2-dithiol
SYSTEMATIC NAME: 1,3-diphenylpropane-2,2-dithiol
MOLECULAR FORMULA: C15H16S2
MOLECULAR WEIGHT: 260.41754
SMILES: C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(S)S
Structure:
CAS RN: 1078-05-3
CAS Name: 4-nitro-1-oxido-3-pyridin-1-iumcarboxylic acid
OPENEYE Name: 4-nitro-1-oxido-pyridin-1-ium-3-carboxylic acid
IUPAC Name: 4-nitro-1-oxidopyridin-1-ium-3-carboxylic acid
SYSTEMATIC NAME: 4-nitro-1-oxidanidyl-pyridin-1-ium-3-carboxylic acid
MOLECULAR FORMULA: C6H4N2O5
MOLECULAR WEIGHT: 184.10636
SMILES: C1=C[N+](=CC(=C1[N+](=O)[O-])C(=O)O)[O-]
Structure:
CAS RN: 6340-29-0
CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid
OPENEYE Name: 2-(1,3-benzothiazol-2-yl)benzoic acid
IUPAC Name: 2-(1,3-benzothiazol-2-yl)benzoic acid
SYSTEMATIC NAME: 2-(1,3-benzothiazol-2-yl)benzoic acid
MOLECULAR FORMULA: C14H9NO2S
MOLECULAR WEIGHT: 255.29176
SMILES: C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)O
Structure:
CAS RN: 6344-93-0
CAS Name: 5,7-dimethoxy-2-pyridin-4-yl-1-benzopyran-4-one
OPENEYE Name: 5,7-dimethoxy-2-(4-pyridyl)chromen-4-one
IUPAC Name: 5,7-dimethoxy-2-pyridin-4-ylchromen-4-one
SYSTEMATIC NAME: 5,7-dimethoxy-2-pyridin-4-yl-chromen-4-one
MOLECULAR FORMULA: C16H13NO4
MOLECULAR WEIGHT: 283.27872
SMILES: COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=NC=C3)OC
Structure:
CAS RN: 7250-68-2
CAS Name: 1-(2-furanyl)-3-(2-hydroxy-4-methoxyphenyl)propane-1,3-dione
OPENEYE Name: 1-(2-furyl)-3-(2-hydroxy-4-methoxy-phenyl)propane-1,3-dione
IUPAC Name: 1-(furan-2-yl)-3-(2-hydroxy-4-methoxyphenyl)propane-1,3-dione
SYSTEMATIC NAME: 1-(furan-2-yl)-3-(4-methoxy-2-oxidanyl-phenyl)propane-1,3-dione
MOLECULAR FORMULA: C14H12O5
MOLECULAR WEIGHT: 260.24208
SMILES: COC1=CC(=C(C=C1)C(=O)CC(=O)C2=CC=CO2)O
Structure:
CAS RN: 72505-67-0
CAS Name: 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-pyridin-4-ylpropane-1,3-dione
OPENEYE Name: 1-(2-hydroxy-4,6-dimethoxy-phenyl)-3-(4-pyridyl)propane-1,3-dione
IUPAC Name: 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-pyridin-4-ylpropane-1,3-dione
SYSTEMATIC NAME: 1-(2,4-dimethoxy-6-oxidanyl-phenyl)-3-pyridin-4-yl-propane-1,3-dione
MOLECULAR FORMULA: C16H15NO5
MOLECULAR WEIGHT: 301.294
SMILES: COC1=CC(=C(C(=C1)OC)C(=O)CC(=O)C2=CC=NC=C2)O
Structure:
CAS RN: 6344-85-0
CAS Name: 2-(4-chloroanilino)-6,7-dihydropyrimido[4,5-d]pyridazine-5,8-dione
OPENEYE Name: 2-(4-chloroanilino)-6,7-dihydropyrimido[4,5-d]pyridazine-5,8-dione
IUPAC Name: 2-(4-chloroanilino)-6,7-dihydropyrimido[4,5-d]pyridazine-5,8-dione
SYSTEMATIC NAME: 2-[(4-chlorophenyl)amino]-6,7-dihydropyrimido[4,5-d]pyridazine-5,8-dione
MOLECULAR FORMULA: C12H8ClN5O2
MOLECULAR WEIGHT: 289.67722
SMILES: C1=CC(=CC=C1NC2=NC=C3C(=N2)C(=O)NNC3=O)Cl
Structure:
CAS RN: 6344-84-9
CAS Name: 2-anilino-6,7-dihydropyrimido[4,5-d]pyridazine-5,8-dione
OPENEYE Name: 2-anilino-6,7-dihydropyrimido[4,5-d]pyridazine-5,8-dione
IUPAC Name: 2-anilino-6,7-dihydropyrimido[4,5-d]pyridazine-5,8-dione
SYSTEMATIC NAME: 2-phenylazanyl-6,7-dihydropyrimido[4,5-d]pyridazine-5,8-dione
MOLECULAR FORMULA: C12H9N5O2
MOLECULAR WEIGHT: 255.23216
SMILES: C1=CC=C(C=C1)NC2=NC=C3C(=N2)C(=O)NNC3=O
Structure:
CAS RN: 6344-83-8
CAS Name: 2-(2-furanylamino)-6,7-dihydropyrimido[4,5-d]pyridazine-5,8-dione
OPENEYE Name: 2-(2-furylamino)-6,7-dihydropyrimido[4,5-d]pyridazine-5,8-dione
IUPAC Name: 2-(furan-2-ylamino)-6,7-dihydropyrimido[4,5-d]pyridazine-5,8-dione
SYSTEMATIC NAME: 2-(furan-2-ylamino)-6,7-dihydropyrimido[4,5-d]pyridazine-5,8-dione
MOLECULAR FORMULA: C10H7N5O3
MOLECULAR WEIGHT: 245.19428
SMILES: C1=COC(=C1)NC2=NC=C3C(=N2)C(=O)NNC3=O
Structure:
CAS RN: 7249-51-6
CAS Name: 1-(benzenesulfonyl)-4-propan-2-yl-2,3-dihydroquinoxaline
OPENEYE Name: 1-(benzenesulfonyl)-4-isopropyl-2,3-dihydroquinoxaline
IUPAC Name: 1-(benzenesulfonyl)-4-propan-2-yl-2,3-dihydroquinoxaline
SYSTEMATIC NAME: 1-(phenylsulfonyl)-4-propan-2-yl-2,3-dihydroquinoxaline
MOLECULAR FORMULA: C17H20N2O2S
MOLECULAR WEIGHT: 316.4179
SMILES: CC(C)N1CCN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3
Structure:
CAS RN: 6344-72-5
CAS Name: 6-methylquinoxaline
OPENEYE Name: 6-methylquinoxaline
IUPAC Name: 6-methylquinoxaline
SYSTEMATIC NAME: 6-methylquinoxaline
MOLECULAR FORMULA: C9H8N2
MOLECULAR WEIGHT: 144.17322
SMILES: CC1=CC2=NC=CN=C2C=C1
Structure:
CAS RN: 7385-85-5
CAS Name: 1-[2-hydroxypropyl-(7-nitro-9H-fluoren-2-yl)amino]-2-propanol
OPENEYE Name: 1-[2-hydroxypropyl-(7-nitro-9H-fluoren-2-yl)amino]propan-2-ol
IUPAC Name: 1-[2-hydroxypropyl-(7-nitro-9H-fluoren-2-yl)amino]propan-2-ol
SYSTEMATIC NAME: 1-[(7-nitro-9H-fluoren-2-yl)-(2-oxidanylpropyl)amino]propan-2-ol
MOLECULAR FORMULA: C19H22N2O4
MOLECULAR WEIGHT: 342.38898
SMILES: CC(CN(CC(C)O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)[N+](=O)[O-])O
Structure:
CAS RN: 7249-43-6
CAS Name: 1-[9H-fluoren-2-yl(2-hydroxypropyl)amino]-2-propanol
OPENEYE Name: 1-[9H-fluoren-2-yl(2-hydroxypropyl)amino]propan-2-ol
IUPAC Name: 1-[9H-fluoren-2-yl(2-hydroxypropyl)amino]propan-2-ol
SYSTEMATIC NAME: 1-[9H-fluoren-2-yl(2-oxidanylpropyl)amino]propan-2-ol
MOLECULAR FORMULA: C19H23NO2
MOLECULAR WEIGHT: 297.39142
SMILES: CC(CN(CC(C)O)C1=CC2=C(C=C1)C3=CC=CC=C3C2)O
Structure:
CAS RN: 91497-39-1
CAS Name: 9-diethoxyphosphoryl-9H-fluorene
OPENEYE Name: 9-diethoxyphosphoryl-9H-fluorene
IUPAC Name: 9-diethoxyphosphoryl-9H-fluorene
SYSTEMATIC NAME: 9-diethoxyphosphoryl-9H-fluorene
MOLECULAR FORMULA: C17H19O3P
MOLECULAR WEIGHT: 302.304721
SMILES: CCOP(=O)(C1C2=CC=CC=C2C3=CC=CC=C13)OCC
Structure:
CAS RN: 18031-49-7
CAS Name: acetic acid [4,5-diacetyloxy-6-methoxy-2-[(triphenylmethyl)oxymethyl]-3-oxanyl] ester
OPENEYE Name: [4,5-diacetoxy-6-methoxy-2-(trityloxymethyl)tetrahydropyran-3-yl] acetate
IUPAC Name: [4,5-diacetyloxy-6-methoxy-2-(trityloxymethyl)oxan-3-yl] acetate
SYSTEMATIC NAME: [4,5-diacetyloxy-6-methoxy-2-[(triphenylmethyl)oxymethyl]oxan-3-yl] ethanoate
MOLECULAR FORMULA: C32H34O9
MOLECULAR WEIGHT: 562.60696
SMILES: CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OC)COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 5349-40-6
CAS Name: 2-(hydroxymethyl)-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]oxane-2,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-3-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-2,4,5-triol
MOLECULAR FORMULA: C12H22O11
MOLECULAR WEIGHT: 342.29648
SMILES: C1C(C(C(C(O1)(CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O
Structure:
CAS RN: 34340-06-2
CAS Name: benzoic acid [4,5-dibenzoyloxy-2-(iodomethyl)-6-methoxy-3-oxanyl] ester
OPENEYE Name: [4,5-dibenzoyloxy-2-(iodomethyl)-6-methoxy-tetrahydropyran-3-yl] benzoate
IUPAC Name: [4,5-dibenzoyloxy-2-(iodomethyl)-6-methoxyoxan-3-yl] benzoate
SYSTEMATIC NAME: [2-(iodanylmethyl)-6-methoxy-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate
MOLECULAR FORMULA: C28H25IO8
MOLECULAR WEIGHT: 616.39777
SMILES: COC1C(C(C(C(O1)CI)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
Structure:
CAS RN: 6340-63-2
CAS Name: benzoic acid [4,5-dibenzoyloxy-2-(iodomethyl)-6-methoxy-3-oxanyl] ester
OPENEYE Name: [4,5-dibenzoyloxy-2-(iodomethyl)-6-methoxy-tetrahydropyran-3-yl] benzoate
IUPAC Name: [4,5-dibenzoyloxy-2-(iodomethyl)-6-methoxyoxan-3-yl] benzoate
SYSTEMATIC NAME: [2-(iodanylmethyl)-6-methoxy-4,5-bis(phenylcarbonyloxy)oxan-3-yl] benzoate
MOLECULAR FORMULA: C28H25IO8
MOLECULAR WEIGHT: 616.39777
SMILES: COC1C(C(C(C(O1)CI)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
Structure:
CAS RN: 28251-53-8
CAS Name: acetic acid (4,5-diacetyloxy-6-methoxy-2-methyl-3-oxanyl) ester
OPENEYE Name: (4,5-diacetoxy-6-methoxy-2-methyl-tetrahydropyran-3-yl) acetate
IUPAC Name: (4,5-diacetyloxy-6-methoxy-2-methyloxan-3-yl) acetate
SYSTEMATIC NAME: (4,5-diacetyloxy-6-methoxy-2-methyl-oxan-3-yl) ethanoate
MOLECULAR FORMULA: C13H20O8
MOLECULAR WEIGHT: 304.2931
SMILES: CC1C(C(C(C(O1)OC)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 6340-56-3
CAS Name: 6-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylic acid
OPENEYE Name: 6-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylic acid
IUPAC Name: 6-methoxy-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxylic acid
SYSTEMATIC NAME: 6-methoxy-1-methyl-2-oxidanylidene-3,4-dihydroquinoline-4-carboxylic acid
MOLECULAR FORMULA: C12H13NO4
MOLECULAR WEIGHT: 235.23592
SMILES: CN1C(=O)CC(C2=C1C=CC(=C2)OC)C(=O)O
Structure:
CAS RN: 6340-54-1
CAS Name: acetic acid [4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-3-oxanyl] ester
OPENEYE Name: [4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl] acetate
IUPAC Name: [4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] acetate
SYSTEMATIC NAME: [2-(hydroxymethyl)-6-methoxy-4,5-bis(oxidanyl)oxan-3-yl] ethanoate
MOLECULAR FORMULA: C9H16O7
MOLECULAR WEIGHT: 236.21914
SMILES: CC(=O)OC1C(OC(C(C1O)O)OC)CO
Structure:
CAS RN: 6340-52-9
CAS Name: 2-methoxy-6-methyloxane-3,4,5-triol
OPENEYE Name: 2-methoxy-6-methyl-tetrahydropyran-3,4,5-triol
IUPAC Name: 2-methoxy-6-methyloxane-3,4,5-triol
SYSTEMATIC NAME: 2-methoxy-6-methyl-oxane-3,4,5-triol
MOLECULAR FORMULA: C7H14O5
MOLECULAR WEIGHT: 178.18306
SMILES: CC1C(C(C(C(O1)OC)O)O)O
Structure:
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