CAS RN: 2039-11-4
CAS Name: N-(5-thiadiazolyl)benzamide
OPENEYE Name: N-(thiadiazol-5-yl)benzamide
IUPAC Name: N-(thiadiazol-5-yl)benzamide
SYSTEMATIC NAME: N-(1,2,3-thiadiazol-5-yl)benzamide
MOLECULAR FORMULA: C9H7N3OS
MOLECULAR WEIGHT: 205.23638
SMILES: C1=CC=C(C=C1)C(=O)NC2=CN=NS2
Structure:
CAS RN: 29185-33-9
CAS Name: 3-phenyl-5-oxatriazol-3-iumamine chloride
OPENEYE Name: 3-phenyloxatriazol-3-ium-5-amine chloride
IUPAC Name: 3-phenyloxatriazol-3-ium-5-amine chloride
SYSTEMATIC NAME: 3-phenyl-1,2,3,4-oxatriazol-3-ium-5-amine chloride
MOLECULAR FORMULA: C7H7ClN4O
MOLECULAR WEIGHT: 198.60968
SMILES: C1=CC=C(C=C1)[N+]2=NOC(=N2)N.[Cl-]
Structure:
CAS RN: 70380-47-1
CAS Name: 4-(methylcarbamoylamino)-N-propan-2-ylbenzamide
OPENEYE Name: N-isopropyl-4-(methylcarbamoylamino)benzamide
IUPAC Name: 4-(methylcarbamoylamino)-N-propan-2-ylbenzamide
SYSTEMATIC NAME: 4-(methylcarbamoylamino)-N-propan-2-yl-benzamide
MOLECULAR FORMULA: C12H17N3O2
MOLECULAR WEIGHT: 235.28228
SMILES: CC(C)NC(=O)C1=CC=C(C=C1)NC(=O)NC
Structure:
CAS RN: 59318-32-0
CAS Name: 7-phenyltetrazolo[1,5-b][1,2,4]triazine
OPENEYE Name: 7-phenyltetrazolo[1,5-b][1,2,4]triazine
IUPAC Name: 7-phenyltetrazolo[1,5-b][1,2,4]triazine
SYSTEMATIC NAME: 7-phenyl-[1,2,3,4]tetrazolo[1,5-b][1,2,4]triazine
MOLECULAR FORMULA: C9H6N6
MOLECULAR WEIGHT: 198.18414
SMILES: C1=CC=C(C=C1)C2=NC3=NN=NN3N=C2
Structure:
CAS RN: 61108-81-4
CAS Name: 3-(1-aziridinyl)-1,2,4-triazine
OPENEYE Name: 3-(aziridin-1-yl)-1,2,4-triazine
IUPAC Name: 3-(aziridin-1-yl)-1,2,4-triazine
SYSTEMATIC NAME: 3-(aziridin-1-yl)-1,2,4-triazine
MOLECULAR FORMULA: C5H6N4
MOLECULAR WEIGHT: 122.12794
SMILES: C1CN1C2=NC=CN=N2
Structure:
CAS RN: 56745-76-7
CAS Name: 1,5,6,7-tetramethyl-2-methylene-4-oxabicyclo[3.2.0]hept-6-en-3-one
OPENEYE Name: 1,5,6,7-tetramethyl-2-methylene-4-oxabicyclo[3.2.0]hept-6-en-3-one
IUPAC Name: 1,5,6,7-tetramethyl-2-methylidene-4-oxabicyclo[3.2.0]hept-6-en-3-one
SYSTEMATIC NAME: 1,5,6,7-tetramethyl-2-methylidene-4-oxabicyclo[3.2.0]hept-6-en-3-one
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC1=C(C2(C1(C(=C)C(=O)O2)C)C)C
Structure:
CAS RN: 35202-08-5
CAS Name: 4-(4-nitrophenyl)-2-oxetanone
OPENEYE Name: 4-(4-nitrophenyl)oxetan-2-one
IUPAC Name: 4-(4-nitrophenyl)oxetan-2-one
SYSTEMATIC NAME: 4-(4-nitrophenyl)oxetan-2-one
MOLECULAR FORMULA: C9H7NO4
MOLECULAR WEIGHT: 193.15618
SMILES: C1C(OC1=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 67031-15-6
CAS Name: 4-[(2,4-dinitrophenyl)hydrazinylidene]-2-(4-fluorophenyl)butanoic acid methyl ester
OPENEYE Name: methyl 4-[(2,4-dinitrophenyl)hydrazono]-2-(4-fluorophenyl)butanoate
IUPAC Name: methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]-2-(4-fluorophenyl)butanoate
SYSTEMATIC NAME: methyl 4-[(2,4-dinitrophenyl)hydrazinylidene]-2-(4-fluorophenyl)butanoate
MOLECULAR FORMULA: C17H15FN4O6
MOLECULAR WEIGHT: 390.322603
SMILES: COC(=O)C(CC=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC=C(C=C2)F
Structure:
CAS RN: 40852-83-3
CAS Name: 6-(4-methylphenyl)sulfonyl-7H-benzo[a]phenazin-5-one
OPENEYE Name: 6-(p-tolylsulfonyl)-7H-benzo[a]phenazin-5-one
IUPAC Name: 6-(4-methylphenyl)sulfonyl-7H-benzo[a]phenazin-5-one
SYSTEMATIC NAME: 6-(4-methylphenyl)sulfonyl-7H-benzo[a]phenazin-5-one
MOLECULAR FORMULA: C23H16N2O3S
MOLECULAR WEIGHT: 400.44974
SMILES: CC1=CC=C(C=C1)S(=O)(=O)C2=C3C(=NC4=CC=CC=C4N3)C5=CC=CC=C5C2=O
Structure:
CAS RN: 40852-82-2
CAS Name: 6-acetyl-7H-benzo[a]phenazin-5-one
OPENEYE Name: 6-acetyl-7H-benzo[a]phenazin-5-one
IUPAC Name: 6-acetyl-7H-benzo[a]phenazin-5-one
SYSTEMATIC NAME: 6-ethanoyl-7H-benzo[a]phenazin-5-one
MOLECULAR FORMULA: C18H12N2O2
MOLECULAR WEIGHT: 288.30008
SMILES: CC(=O)C1=C2C(=NC3=CC=CC=C3N2)C4=CC=CC=C4C1=O
Structure:
CAS RN: 36727-97-6
CAS Name: 2-amino-3-pyridin-4-ylpentanedioic acid
OPENEYE Name: 2-amino-3-(4-pyridyl)pentanedioic acid
IUPAC Name: 2-amino-3-pyridin-4-ylpentanedioic acid
SYSTEMATIC NAME: 2-azanyl-3-pyridin-4-yl-pentanedioic acid
MOLECULAR FORMULA: C10H12N2O4
MOLECULAR WEIGHT: 224.21328
SMILES: C1=CN=CC=C1C(CC(=O)O)C(C(=O)O)N
Structure:
CAS RN: 36727-90-9
CAS Name: 2-amino-3-(3-pyridinyl)pentanedioic acid
OPENEYE Name: 2-amino-3-(3-pyridyl)pentanedioic acid
IUPAC Name: 2-amino-3-pyridin-3-ylpentanedioic acid
SYSTEMATIC NAME: 2-azanyl-3-pyridin-3-yl-pentanedioic acid
MOLECULAR FORMULA: C10H12N2O4
MOLECULAR WEIGHT: 224.21328
SMILES: C1=CC(=CN=C1)C(CC(=O)O)C(C(=O)O)N
Structure:
CAS RN: 36727-96-5
CAS Name: 2-amino-3-(3-pyridinyl)pentanedioic acid
OPENEYE Name: 2-amino-3-(3-pyridyl)pentanedioic acid
IUPAC Name: 2-amino-3-pyridin-3-ylpentanedioic acid
SYSTEMATIC NAME: 2-azanyl-3-pyridin-3-yl-pentanedioic acid
MOLECULAR FORMULA: C10H12N2O4
MOLECULAR WEIGHT: 224.21328
SMILES: C1=CC(=CN=C1)C(CC(=O)O)C(C(=O)O)N
Structure:
CAS RN: 36727-99-8
CAS Name: 2-amino-3-(3-nitrophenyl)pentanedioic acid
OPENEYE Name: 2-amino-3-(3-nitrophenyl)pentanedioic acid
IUPAC Name: 2-amino-3-(3-nitrophenyl)pentanedioic acid
SYSTEMATIC NAME: 2-azanyl-3-(3-nitrophenyl)pentanedioic acid
MOLECULAR FORMULA: C11H12N2O6
MOLECULAR WEIGHT: 268.22278
SMILES: C1=CC(=CC(=C1)[N+](=O)[O-])C(CC(=O)O)C(C(=O)O)N
Structure:
CAS RN: 36727-86-3
CAS Name: 2-amino-3-(4-hydroxyphenyl)pentanedioic acid
OPENEYE Name: 2-amino-3-(4-hydroxyphenyl)pentanedioic acid
IUPAC Name: 2-amino-3-(4-hydroxyphenyl)pentanedioic acid
SYSTEMATIC NAME: 2-azanyl-3-(4-hydroxyphenyl)pentanedioic acid
MOLECULAR FORMULA: C11H13NO5
MOLECULAR WEIGHT: 239.22462
SMILES: C1=CC(=CC=C1C(CC(=O)O)C(C(=O)O)N)O
Structure:
CAS RN: 36727-93-2
CAS Name: 2-amino-3-(4-hydroxyphenyl)pentanedioic acid
OPENEYE Name: 2-amino-3-(4-hydroxyphenyl)pentanedioic acid
IUPAC Name: 2-amino-3-(4-hydroxyphenyl)pentanedioic acid
SYSTEMATIC NAME: 2-azanyl-3-(4-hydroxyphenyl)pentanedioic acid
MOLECULAR FORMULA: C11H13NO5
MOLECULAR WEIGHT: 239.22462
SMILES: C1=CC(=CC=C1C(CC(=O)O)C(C(=O)O)N)O
Structure:
CAS RN: 36727-87-4
CAS Name: 2-amino-3-(4-methoxyphenyl)pentanedioic acid
OPENEYE Name: 2-amino-3-(4-methoxyphenyl)pentanedioic acid
IUPAC Name: 2-amino-3-(4-methoxyphenyl)pentanedioic acid
SYSTEMATIC NAME: 2-azanyl-3-(4-methoxyphenyl)pentanedioic acid
MOLECULAR FORMULA: C12H15NO5
MOLECULAR WEIGHT: 253.2512
SMILES: COC1=CC=C(C=C1)C(CC(=O)O)C(C(=O)O)N
Structure:
CAS RN: 36727-94-3
CAS Name: 2-amino-3-(4-methoxyphenyl)pentanedioic acid
OPENEYE Name: 2-amino-3-(4-methoxyphenyl)pentanedioic acid
IUPAC Name: 2-amino-3-(4-methoxyphenyl)pentanedioic acid
SYSTEMATIC NAME: 2-azanyl-3-(4-methoxyphenyl)pentanedioic acid
MOLECULAR FORMULA: C12H15NO5
MOLECULAR WEIGHT: 253.2512
SMILES: COC1=CC=C(C=C1)C(CC(=O)O)C(C(=O)O)N
Structure:
CAS RN: 36727-88-5
CAS Name: 2-amino-3-(4-methylphenyl)pentanedioic acid
OPENEYE Name: 2-amino-3-(p-tolyl)pentanedioic acid
IUPAC Name: 2-amino-3-(4-methylphenyl)pentanedioic acid
SYSTEMATIC NAME: 2-azanyl-3-(4-methylphenyl)pentanedioic acid
MOLECULAR FORMULA: C12H15NO4
MOLECULAR WEIGHT: 237.2518
SMILES: CC1=CC=C(C=C1)C(CC(=O)O)C(C(=O)O)N
Structure:
CAS RN: 36727-95-4
CAS Name: 2-amino-3-(4-methylphenyl)pentanedioic acid
OPENEYE Name: 2-amino-3-(p-tolyl)pentanedioic acid
IUPAC Name: 2-amino-3-(4-methylphenyl)pentanedioic acid
SYSTEMATIC NAME: 2-azanyl-3-(4-methylphenyl)pentanedioic acid
MOLECULAR FORMULA: C12H15NO4
MOLECULAR WEIGHT: 237.2518
SMILES: CC1=CC=C(C=C1)C(CC(=O)O)C(C(=O)O)N
Structure:
CAS RN: 40860-54-6
CAS Name: 2-amino-3-phenylpentanedioic acid
OPENEYE Name: 2-amino-3-phenyl-pentanedioic acid
IUPAC Name: 2-amino-3-phenylpentanedioic acid
SYSTEMATIC NAME: 2-azanyl-3-phenyl-pentanedioic acid
MOLECULAR FORMULA: C11H13NO4
MOLECULAR WEIGHT: 223.22522
SMILES: C1=CC=C(C=C1)C(CC(=O)O)C(C(=O)O)N
Structure:
CAS RN: 36727-89-6
CAS Name: 2-amino-3-phenylpentanedioic acid
OPENEYE Name: 2-amino-3-phenyl-pentanedioic acid
IUPAC Name: 2-amino-3-phenylpentanedioic acid
SYSTEMATIC NAME: 2-azanyl-3-phenyl-pentanedioic acid
MOLECULAR FORMULA: C11H13NO4
MOLECULAR WEIGHT: 223.22522
SMILES: C1=CC=C(C=C1)C(CC(=O)O)C(C(=O)O)N
Structure:
CAS RN: 36739-32-9
CAS Name: 2-amino-3-phenylpentanedioic acid
OPENEYE Name: 2-amino-3-phenyl-pentanedioic acid
IUPAC Name: 2-amino-3-phenylpentanedioic acid
SYSTEMATIC NAME: 2-azanyl-3-phenyl-pentanedioic acid
MOLECULAR FORMULA: C11H13NO4
MOLECULAR WEIGHT: 223.22522
SMILES: C1=CC=C(C=C1)C(CC(=O)O)C(C(=O)O)N
Structure:
CAS RN: 34908-15-1
CAS Name: N-[4-(2-naphthalenylamino)-1,4-dioxobutyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[4-(2-naphthylamino)-4-oxo-butanoyl]carbamate
IUPAC Name: ethyl N-[4-(naphthalen-2-ylamino)-4-oxobutanoyl]carbamate
SYSTEMATIC NAME: ethyl N-[4-(naphthalen-2-ylamino)-4-oxidanylidene-butanoyl]carbamate
MOLECULAR FORMULA: C17H18N2O4
MOLECULAR WEIGHT: 314.33582
SMILES: CCOC(=O)NC(=O)CCC(=O)NC1=CC2=CC=CC=C2C=C1
Structure:
CAS RN: 57164-77-9
CAS Name: methanesulfonic acid; N-[3-methyl-4-[(3-methyl-9-acridinyl)amino]phenyl]methanesulfonamide
OPENEYE Name: methanesulfonic acid; N-[3-methyl-4-[(3-methylacridin-9-yl)amino]phenyl]methanesulfonamide
IUPAC Name: methanesulfonic acid; N-[3-methyl-4-[(3-methylacridin-9-yl)amino]phenyl]methanesulfonamide
SYSTEMATIC NAME: methanesulfonic acid; N-[3-methyl-4-[(3-methylacridin-9-yl)amino]phenyl]methanesulfonamide
MOLECULAR FORMULA: C23H25N3O5S2
MOLECULAR WEIGHT: 487.5917
SMILES: CC1=CC2=NC3=CC=CC=C3C(=C2C=C1)NC4=C(C=C(C=C4)NS(=O)(=O)C)C.CS(=O)(=O)O
Structure:
CAS RN: 62054-41-5
CAS Name: 3-methyl-1,1-dioxo-2,3-dihydro-1$l^{6},2-benzothiazin-4-one
OPENEYE Name: 3-methyl-1,1-dioxo-2,3-dihydro-1$l^{6},2-benzothiazin-4-one
IUPAC Name: 3-methyl-1,1-dioxo-2,3-dihydro-1$l^{6},2-benzothiazin-4-one
SYSTEMATIC NAME: 3-methyl-1,1-bis(oxidanylidene)-2,3-dihydro-1$l^{6},2-benzothiazin-4-one
MOLECULAR FORMULA: C9H9NO3S
MOLECULAR WEIGHT: 211.23766
SMILES: CC1C(=O)C2=CC=CC=C2S(=O)(=O)N1
Structure:
CAS RN: 30408-36-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H20N2O5
MOLECULAR WEIGHT: 368.3832
SMILES: CCCC(=O)OCC1=CC(=O)N(C2=C1C=C3C(=CC(=O)N4C3=C2OC4)C)C
Structure:
CAS RN: 13566-26-2
CAS Name: 5,5-dimethylpyrazole-3,4-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl 5,5-dimethylpyrazole-3,4-dicarboxylate
IUPAC Name: dimethyl 5,5-dimethylpyrazole-3,4-dicarboxylate
SYSTEMATIC NAME: dimethyl 5,5-dimethylpyrazole-3,4-dicarboxylate
MOLECULAR FORMULA: C9H12N2O4
MOLECULAR WEIGHT: 212.20258
SMILES: CC1(C(=C(N=N1)C(=O)OC)C(=O)OC)C
Structure:
CAS RN: 22497-36-5
CAS Name: 3,3,5,5-tetramethyl-4H-pyrazole-4-carboxylic acid methyl ester
OPENEYE Name: methyl 3,3,5,5-tetramethyl-4H-pyrazole-4-carboxylate
IUPAC Name: methyl 3,3,5,5-tetramethyl-4H-pyrazole-4-carboxylate
SYSTEMATIC NAME: methyl 3,3,5,5-tetramethyl-4H-pyrazole-4-carboxylate
MOLECULAR FORMULA: C9H16N2O2
MOLECULAR WEIGHT: 184.23554
SMILES: CC1(C(C(N=N1)(C)C)C(=O)OC)C
Structure:
CAS RN: 65441-97-6
CAS Name: 4-methoxybenzoic acid (3,5,5-trimethyl-2-oxido-4H-pyrazol-2-ium-3-yl) ester
OPENEYE Name: (3,5,5-trimethyl-2-oxido-4H-pyrazol-2-ium-3-yl) 4-methoxybenzoate
IUPAC Name: (3,5,5-trimethyl-2-oxido-4H-pyrazol-2-ium-3-yl) 4-methoxybenzoate
SYSTEMATIC NAME: (3,5,5-trimethyl-2-oxidanidyl-4H-pyrazol-2-ium-3-yl) 4-methoxybenzoate
MOLECULAR FORMULA: C14H18N2O4
MOLECULAR WEIGHT: 278.30372
SMILES: CC1(CC([N+](=N1)[O-])(C)OC(=O)C2=CC=C(C=C2)OC)C
Structure:
CAS RN: 65441-81-8
CAS Name: 4-methoxybenzoic acid (3,5,5-trimethyl-4H-pyrazol-3-yl) ester
OPENEYE Name: (3,5,5-trimethyl-4H-pyrazol-3-yl) 4-methoxybenzoate
IUPAC Name: (3,5,5-trimethyl-4H-pyrazol-3-yl) 4-methoxybenzoate
SYSTEMATIC NAME: (3,5,5-trimethyl-4H-pyrazol-3-yl) 4-methoxybenzoate
MOLECULAR FORMULA: C14H18N2O3
MOLECULAR WEIGHT: 262.30432
SMILES: CC1(CC(N=N1)(C)OC(=O)C2=CC=C(C=C2)OC)C
Structure:
CAS RN: 69241-88-9
CAS Name: 2-chloro-3-(decylthio)-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione
OPENEYE Name: 2-chloro-3-decylsulfanyl-5,6-dimethoxy-1,4-benzoquinone
IUPAC Name: 2-chloro-3-decylsulfanyl-5,6-dimethoxycyclohexa-2,5-diene-1,4-dione
SYSTEMATIC NAME: 2-chloranyl-3-decylsulfanyl-5,6-dimethoxy-cyclohexa-2,5-diene-1,4-dione
MOLECULAR FORMULA: C18H27ClO4S
MOLECULAR WEIGHT: 374.92258
SMILES: CCCCCCCCCCSC1=C(C(=O)C(=C(C1=O)OC)OC)Cl
Structure:
CAS RN: 61597-47-5
CAS Name: 9-bromo-4,7-dioxadispiro[4.0.4^{6}.2^{5}]dodeca-1,9-diene-3,8-dione
OPENEYE Name: 9-bromo-4,7-dioxadispiro[4.0.4^{6}.2^{5}]dodeca-1,9-diene-3,8-dione
IUPAC Name: 9-bromo-4,7-dioxadispiro[4.0.4^{6}.2^{5}]dodeca-1,9-diene-3,8-dione
SYSTEMATIC NAME: 9-bromanyl-4,7-dioxadispiro[4.0.4^{6}.2^{5}]dodeca-1,9-diene-3,8-dione
MOLECULAR FORMULA: C10H7BrO4
MOLECULAR WEIGHT: 271.06418
SMILES: C1CC2(C13C=CC(=O)O3)C=C(C(=O)O2)Br
Structure:
CAS RN: 61597-48-6
CAS Name: 2,9-dibromo-4,7-dioxadispiro[4.0.4^{6}.2^{5}]dodeca-1,9-diene-3,8-dione
OPENEYE Name: 2,9-dibromo-4,7-dioxadispiro[4.0.4^{6}.2^{5}]dodeca-1,9-diene-3,8-dione
IUPAC Name: 2,9-dibromo-4,7-dioxadispiro[4.0.4^{6}.2^{5}]dodeca-1,9-diene-3,8-dione
SYSTEMATIC NAME: 2,9-bis(bromanyl)-4,7-dioxadispiro[4.0.4^{6}.2^{5}]dodeca-1,9-diene-3,8-dione
MOLECULAR FORMULA: C10H6Br2O4
MOLECULAR WEIGHT: 349.96024
SMILES: C1CC2(C13C=C(C(=O)O3)Br)C=C(C(=O)O2)Br
Structure:
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