CAS RN: 214597-35-0
CAS Name: 2-benzoyl-3-chloro-1-phenalenone
OPENEYE Name: 2-benzoyl-3-chloro-phenalen-1-one
IUPAC Name: 2-benzoyl-3-chlorophenalen-1-one
SYSTEMATIC NAME: 3-chloranyl-2-(phenylcarbonyl)phenalen-1-one
MOLECULAR FORMULA: C20H11ClO2
MOLECULAR WEIGHT: 318.75314
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC4=C3C(=CC=C4)C2=O)Cl
Structure:
CAS RN: 97216-44-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H7Cl2NO2
MOLECULAR WEIGHT: 304.12758
SMILES: C1=CC=C2C(=C1)C3=C4N2C(=O)C(C(=O)C4=CC=C3)(Cl)Cl
Structure:
CAS RN: 71814-52-3
CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolo[4,3-c]quinolinone
OPENEYE Name: 3,5-dimethyl-1-phenyl-pyrazolo[4,3-c]quinolin-4-one
IUPAC Name: 3,5-dimethyl-1-phenylpyrazolo[4,3-c]quinolin-4-one
SYSTEMATIC NAME: 3,5-dimethyl-1-phenyl-pyrazolo[4,3-c]quinolin-4-one
MOLECULAR FORMULA: C18H15N3O
MOLECULAR WEIGHT: 289.3312
SMILES: CC1=NN(C2=C1C(=O)N(C3=CC=CC=C32)C)C4=CC=CC=C4
Structure:
CAS RN: 193673-44-8
CAS Name: 2-(3-nitro-2-oxo-1-phenyl-4-quinolinyl)propanedioic acid dimethyl ester
OPENEYE Name: dimethyl 2-(3-nitro-2-oxo-1-phenyl-4-quinolyl)propanedioate
IUPAC Name: dimethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate
SYSTEMATIC NAME: dimethyl 2-(3-nitro-2-oxidanylidene-1-phenyl-quinolin-4-yl)propanedioate
MOLECULAR FORMULA: C20H16N2O7
MOLECULAR WEIGHT: 396.35024
SMILES: COC(=O)C(C1=C(C(=O)N(C2=CC=CC=C21)C3=CC=CC=C3)[N+](=O)[O-])C(=O)OC
Structure:
CAS RN: 329762-16-5
CAS Name: 4-bromobenzenesulfonic acid (1-methyl-2-oxo-3-phenyl-4-quinolinyl) ester
OPENEYE Name: (1-methyl-2-oxo-3-phenyl-4-quinolyl) 4-bromobenzenesulfonate
IUPAC Name: (1-methyl-2-oxo-3-phenylquinolin-4-yl) 4-bromobenzenesulfonate
SYSTEMATIC NAME: (1-methyl-2-oxidanylidene-3-phenyl-quinolin-4-yl) 4-bromanylbenzenesulfonate
MOLECULAR FORMULA: C22H16BrNO4S
MOLECULAR WEIGHT: 470.33574
SMILES: CN1C2=CC=CC=C2C(=C(C1=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)Br
Structure:
CAS RN: 193673-43-7
CAS Name: 2-(1-methyl-3-nitro-2-oxo-4-quinolinyl)propanedioic acid dimethyl ester
OPENEYE Name: dimethyl 2-(1-methyl-3-nitro-2-oxo-4-quinolyl)propanedioate
IUPAC Name: dimethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)propanedioate
SYSTEMATIC NAME: dimethyl 2-(1-methyl-3-nitro-2-oxidanylidene-quinolin-4-yl)propanedioate
MOLECULAR FORMULA: C15H14N2O7
MOLECULAR WEIGHT: 334.28086
SMILES: CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])C(C(=O)OC)C(=O)OC
Structure:
CAS RN: 189998-41-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H11N5O5
MOLECULAR WEIGHT: 341.27834
SMILES: CN1C2=C(C3=NO[N+](=C3C(=O)N2C4=CC=CC=C4)[O-])C(=O)N(C1=O)C
Structure:
CAS RN: 193673-41-5
CAS Name: 2-(3-nitro-2-oxo-1-phenyl-4-quinolinyl)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(3-nitro-2-oxo-1-phenyl-4-quinolyl)propanedioate
IUPAC Name: diethyl 2-(3-nitro-2-oxo-1-phenylquinolin-4-yl)propanedioate
SYSTEMATIC NAME: diethyl 2-(3-nitro-2-oxidanylidene-1-phenyl-quinolin-4-yl)propanedioate
MOLECULAR FORMULA: C22H20N2O7
MOLECULAR WEIGHT: 424.4034
SMILES: CCOC(=O)C(C1=C(C(=O)N(C2=CC=CC=C21)C3=CC=CC=C3)[N+](=O)[O-])C(=O)OCC
Structure:
CAS RN: 193673-40-4
CAS Name: 2-(1-methyl-3-nitro-2-oxo-4-quinolinyl)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(1-methyl-3-nitro-2-oxo-4-quinolyl)propanedioate
IUPAC Name: diethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)propanedioate
SYSTEMATIC NAME: diethyl 2-(1-methyl-3-nitro-2-oxidanylidene-quinolin-4-yl)propanedioate
MOLECULAR FORMULA: C17H18N2O7
MOLECULAR WEIGHT: 362.33402
SMILES: CCOC(=O)C(C1=C(C(=O)N(C2=CC=CC=C21)C)[N+](=O)[O-])C(=O)OCC
Structure:
CAS RN: 33070-47-2
CAS Name: 4,6-dimethyl-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-dione
OPENEYE Name: 4,6-dimethyl-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-dione
IUPAC Name: 4,6-dimethyl-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-dione
SYSTEMATIC NAME: 4,6-dimethyl-[1,2,5]oxadiazolo[3,4-d]pyrimidine-5,7-dione
MOLECULAR FORMULA: C6H6N4O3
MOLECULAR WEIGHT: 182.13684
SMILES: CN1C2=NON=C2C(=O)N(C1=O)C
Structure:
CAS RN: 83505-04-8
CAS Name: 3-chloro-1-phenalenone
OPENEYE Name: 3-chlorophenalen-1-one
IUPAC Name: 3-chlorophenalen-1-one
SYSTEMATIC NAME: 3-chloranylphenalen-1-one
MOLECULAR FORMULA: C13H7ClO
MOLECULAR WEIGHT: 214.64708
SMILES: C1=CC2=C3C(=C1)C(=CC(=O)C3=CC=C2)Cl
Structure:
CAS RN: 16308-16-0
CAS Name: acetic acid [acetyloxy-(4-methylphenyl)-$l^{3}-iodanyl] ester
OPENEYE Name: [acetoxy(p-tolyl)-$l^{3}-iodanyl] acetate
IUPAC Name: [acetyloxy-(4-methylphenyl)-$l^{3}-iodanyl] acetate
SYSTEMATIC NAME: [acetyloxy-(4-methylphenyl)-$l^{3}-iodanyl] ethanoate
MOLECULAR FORMULA: C11H13IO4
MOLECULAR WEIGHT: 336.12299
SMILES: CC1=CC=C(C=C1)I(OC(=O)C)OC(=O)C
Structure:
CAS RN: 6484-24-8
CAS Name: 4-chloro-2-methylquinazoline
OPENEYE Name: 4-chloro-2-methyl-quinazoline
IUPAC Name: 4-chloro-2-methylquinazoline
SYSTEMATIC NAME: 4-chloranyl-2-methyl-quinazoline
MOLECULAR FORMULA: C9H7ClN2
MOLECULAR WEIGHT: 178.61828
SMILES: CC1=NC2=CC=CC=C2C(=N1)Cl
Structure:
CAS RN: 138222-73-8
CAS Name: 1-(2,4-dichlorophenyl)-2,5-dimethyl-3-pyrrolecarboxaldehyde
OPENEYE Name: 1-(2,4-dichlorophenyl)-2,5-dimethyl-pyrrole-3-carbaldehyde
IUPAC Name: 1-(2,4-dichlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
SYSTEMATIC NAME: 1-(2,4-dichlorophenyl)-2,5-dimethyl-pyrrole-3-carbaldehyde
MOLECULAR FORMULA: C13H11Cl2NO
MOLECULAR WEIGHT: 268.13854
SMILES: CC1=CC(=C(N1C2=C(C=C(C=C2)Cl)Cl)C)C=O
Structure:
CAS RN: 20461-26-1
CAS Name: 1-(4-chlorophenyl)-2,5-dimethyl-3-pyrrolecarboxaldehyde
OPENEYE Name: 1-(4-chlorophenyl)-2,5-dimethyl-pyrrole-3-carbaldehyde
IUPAC Name: 1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carbaldehyde
SYSTEMATIC NAME: 1-(4-chlorophenyl)-2,5-dimethyl-pyrrole-3-carbaldehyde
MOLECULAR FORMULA: C13H12ClNO
MOLECULAR WEIGHT: 233.69348
SMILES: CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C=O
Structure:
CAS RN: 92940-24-4
CAS Name: 2-(diethylamino)-5-thiazolecarboxaldehyde
OPENEYE Name: 2-(diethylamino)thiazole-5-carbaldehyde
IUPAC Name: 2-(diethylamino)-1,3-thiazole-5-carbaldehyde
SYSTEMATIC NAME: 2-(diethylamino)-1,3-thiazole-5-carbaldehyde
MOLECULAR FORMULA: C8H12N2OS
MOLECULAR WEIGHT: 184.25868
SMILES: CCN(CC)C1=NC=C(S1)C=O
Structure:
CAS RN: 130182-30-8
CAS Name: 3,6-dimethyl-5-imidazo[2,1-b]thiazolecarboxaldehyde
OPENEYE Name: 3,6-dimethylimidazo[2,1-b]thiazole-5-carbaldehyde
IUPAC Name: 3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SYSTEMATIC NAME: 3,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
MOLECULAR FORMULA: C8H8N2OS
MOLECULAR WEIGHT: 180.22692
SMILES: CC1=CSC2=NC(=C(N12)C=O)C
Structure:
CAS RN: 19929-85-2
CAS Name: N-[2,2-dichloroethenoxy(diethylamino)phosphoryl]-N-ethylethanamine
OPENEYE Name: N-[2,2-dichlorovinyloxy(diethylamino)phosphoryl]-N-ethyl-ethanamine
IUPAC Name: N-[2,2-dichloroethenoxy(diethylamino)phosphoryl]-N-ethylethanamine
SYSTEMATIC NAME: N-[2,2-bis(chloranyl)ethenoxy-(diethylamino)phosphoryl]-N-ethyl-ethanamine
MOLECULAR FORMULA: C10H21Cl2N2O2P
MOLECULAR WEIGHT: 303.165701
SMILES: CCN(CC)P(=O)(N(CC)CC)OC=C(Cl)Cl
Structure:
CAS RN: 20495-33-4
CAS Name: N-(diethoxyphosphorylmethyl)benzamide
OPENEYE Name: N-(diethoxyphosphorylmethyl)benzamide
IUPAC Name: N-(diethoxyphosphorylmethyl)benzamide
SYSTEMATIC NAME: N-(diethoxyphosphorylmethyl)benzamide
MOLECULAR FORMULA: C12H18NO4P
MOLECULAR WEIGHT: 271.249381
SMILES: CCOP(=O)(CNC(=O)C1=CC=CC=C1)OCC
Structure:
CAS RN: 103305-01-7
CAS Name: 1,1,2,2,2-pentafluoroethylphosphonic acid
OPENEYE Name: 1,1,2,2,2-pentafluoroethylphosphonic acid
IUPAC Name: 1,1,2,2,2-pentafluoroethylphosphonic acid
SYSTEMATIC NAME: 1,1,2,2,2-pentakis(fluoranyl)ethylphosphonic acid
MOLECULAR FORMULA: C2H2F5O3P
MOLECULAR WEIGHT: 200.001257
SMILES: C(C(F)(F)P(=O)(O)O)(F)(F)F
Structure:
CAS RN: 3582-10-3
CAS Name: tetrachloro(trichloromethyl)phosphorane
OPENEYE Name: tetrachloro(trichloromethyl)-$l^{5}-phosphane
IUPAC Name: tetrachloro(trichloromethyl)-$l^{5}-phosphane
SYSTEMATIC NAME: tetrakis(chloranyl)-(trichloromethyl)-$l^{5}-phosphane
MOLECULAR FORMULA: CCl7P
MOLECULAR WEIGHT: 291.155461
SMILES: C(P(Cl)(Cl)(Cl)Cl)(Cl)(Cl)Cl
Structure:
CAS RN: 1519-45-5
CAS Name: triphenyl(2-triphenylphosphiniumylethyl)phosphonium
OPENEYE Name: triphenyl(2-triphenylphosphaniumylethyl)phosphonium
IUPAC Name: triphenyl(2-triphenylphosphaniumylethyl)phosphanium
SYSTEMATIC NAME: triphenyl(2-triphenylphosphaniumylethyl)phosphanium
MOLECULAR FORMULA: C38H34P2+2
MOLECULAR WEIGHT: 552.624082
SMILES: C1=CC=C(C=C1)[P+](CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 1519-45-5
CAS Name: triphenyl(2-triphenylphosphiniumylethyl)phosphonium dibromide
OPENEYE Name: triphenyl(2-triphenylphosphaniumylethyl)phosphonium dibromide
IUPAC Name: triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
SYSTEMATIC NAME: triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
MOLECULAR FORMULA: C38H34Br2P2
MOLECULAR WEIGHT: 712.432082
SMILES: C1=CC=C(C=C1)[P+](CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-].[Br-]
Structure:
CAS RN: 86454-37-7
CAS Name: 4-(2-formyl-1-pyrrolyl)benzoic acid ethyl ester
OPENEYE Name: ethyl 4-(2-formylpyrrol-1-yl)benzoate
IUPAC Name: ethyl 4-(2-formylpyrrol-1-yl)benzoate
SYSTEMATIC NAME: ethyl 4-(2-methanoylpyrrol-1-yl)benzoate
MOLECULAR FORMULA: C14H13NO3
MOLECULAR WEIGHT: 243.25792
SMILES: CCOC(=O)C1=CC=C(C=C1)N2C=CC=C2C=O
Structure:
CAS RN: 5237-27-4
CAS Name: 2-[[(2-bromophenyl)-oxomethyl]amino]-3-methylbutanoic acid
OPENEYE Name: 2-[(2-bromobenzoyl)amino]-3-methyl-butanoic acid
IUPAC Name: 2-[(2-bromobenzoyl)amino]-3-methylbutanoic acid
SYSTEMATIC NAME: 2-[(2-bromophenyl)carbonylamino]-3-methyl-butanoic acid
MOLECULAR FORMULA: C12H14BrNO3
MOLECULAR WEIGHT: 300.14846
SMILES: CC(C)C(C(=O)O)NC(=O)C1=CC=CC=C1Br
Structure:
CAS RN: 23197-67-3
CAS Name: 2-(4-methoxyphenyl)propanedioic acid diethyl ester
OPENEYE Name: diethyl 2-(4-methoxyphenyl)propanedioate
IUPAC Name: diethyl 2-(4-methoxyphenyl)propanedioate
SYSTEMATIC NAME: diethyl 2-(4-methoxyphenyl)propanedioate
MOLECULAR FORMULA: C14H18O5
MOLECULAR WEIGHT: 266.28972
SMILES: CCOC(=O)C(C1=CC=C(C=C1)OC)C(=O)OCC
Structure:
CAS RN: 132521-66-5
CAS Name: 2,4-dichloro-3-nitroquinoline
OPENEYE Name: 2,4-dichloro-3-nitro-quinoline
IUPAC Name: 2,4-dichloro-3-nitroquinoline
SYSTEMATIC NAME: 2,4-bis(chloranyl)-3-nitro-quinoline
MOLECULAR FORMULA: C9H4Cl2N2O2
MOLECULAR WEIGHT: 243.04626
SMILES: C1=CC=C2C(=C1)C(=C(C(=N2)Cl)[N+](=O)[O-])Cl
Structure:
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