Monday, May 28, 2012

http://ChemLookup.com Compounds




CAS RN: 39837-50-8
CAS Name: 1,1-diethyl-2-phenylhydrazine
OPENEYE Name: 1,1-diethyl-2-phenyl-hydrazine
IUPAC Name: 1,1-diethyl-2-phenylhydrazine
SYSTEMATIC NAME: 1,1-diethyl-2-phenyl-diazane
MOLECULAR FORMULA: C10H16N2
MOLECULAR WEIGHT: 164.24744
SMILES: CCN(CC)NC1=CC=CC=C1
Structure:

CAS RN: 19340-68-2
CAS Name: 1-(4-methoxyphenyl)-4-phenyl-2-azetidinone
OPENEYE Name: 1-(4-methoxyphenyl)-4-phenyl-azetidin-2-one
IUPAC Name: 1-(4-methoxyphenyl)-4-phenylazetidin-2-one
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-4-phenyl-azetidin-2-one
MOLECULAR FORMULA: C16H15NO2
MOLECULAR WEIGHT: 253.2958
SMILES: COC1=CC=C(C=C1)N2C(CC2=O)C3=CC=CC=C3
Structure:

CAS RN: 1101-39-9
CAS Name: 4H-quinolizine-1,2,3,4-tetracarboxylic acid tetramethyl ester
OPENEYE Name: tetramethyl 4H-quinolizine-1,2,3,4-tetracarboxylate
IUPAC Name: tetramethyl 4H-quinolizine-1,2,3,4-tetracarboxylate
SYSTEMATIC NAME: tetramethyl 4H-quinolizine-1,2,3,4-tetracarboxylate
MOLECULAR FORMULA: C17H17NO8
MOLECULAR WEIGHT: 363.31878
SMILES: COC(=O)C1C(=C(C(=C2N1C=CC=C2)C(=O)OC)C(=O)OC)C(=O)OC
Structure:

CAS RN: 5658-49-1
CAS Name: 3,4,5-trimethoxy-N,N-dimethylbenzamide
OPENEYE Name: 3,4,5-trimethoxy-N,N-dimethyl-benzamide
IUPAC Name: 3,4,5-trimethoxy-N,N-dimethylbenzamide
SYSTEMATIC NAME: 3,4,5-trimethoxy-N,N-dimethyl-benzamide
MOLECULAR FORMULA: C12H17NO4
MOLECULAR WEIGHT: 239.26768
SMILES: CN(C)C(=O)C1=CC(=C(C(=C1)OC)OC)OC
Structure:

CAS RN: 41600-42-4
CAS Name: 1-methyl-4-oxopyridine-2,6-dicarboxylic acid
OPENEYE Name: 1-methyl-4-oxo-pyridine-2,6-dicarboxylic acid
IUPAC Name: 1-methyl-4-oxopyridine-2,6-dicarboxylic acid
SYSTEMATIC NAME: 1-methyl-4-oxidanylidene-pyridine-2,6-dicarboxylic acid
MOLECULAR FORMULA: C8H7NO5
MOLECULAR WEIGHT: 197.14488
SMILES: CN1C(=CC(=O)C=C1C(=O)O)C(=O)O
Structure:

CAS RN: 20261-31-8
CAS Name: 2-hydroxy-3-nitro-1-benzopyran-4-one
OPENEYE Name: 2-hydroxy-3-nitro-chromen-4-one
IUPAC Name: 2-hydroxy-3-nitrochromen-4-one
SYSTEMATIC NAME: 3-nitro-2-oxidanyl-chromen-4-one
MOLECULAR FORMULA: C9H5NO5
MOLECULAR WEIGHT: 207.1397
SMILES: C1=CC=C2C(=C1)C(=O)C(=C(O2)O)[N+](=O)[O-]
Structure:

CAS RN: 42202-89-1
CAS Name: 6-methyl-1,3-oxazinan-2-one
OPENEYE Name: 6-methyl-1,3-oxazinan-2-one
IUPAC Name: 6-methyl-1,3-oxazinan-2-one
SYSTEMATIC NAME: 6-methyl-1,3-oxazinan-2-one
MOLECULAR FORMULA: C5H9NO2
MOLECULAR WEIGHT: 115.13046
SMILES: CC1CCNC(=O)O1
Structure:

CAS RN: 21220-62-2
CAS Name: carbamic acid (dicyclopropylmethylideneamino) ester
OPENEYE Name: (dicyclopropylmethyleneamino) carbamate
IUPAC Name: (dicyclopropylmethylideneamino) carbamate
SYSTEMATIC NAME: (dicyclopropylmethylideneamino) carbamate
MOLECULAR FORMULA: C8H12N2O2
MOLECULAR WEIGHT: 168.19308
SMILES: C1CC1C(=NOC(=O)N)C2CC2
Structure:

CAS RN: 94115-41-0
CAS Name: acetic acid (dicyclopropylmethylideneamino) ester
OPENEYE Name: (dicyclopropylmethyleneamino) acetate
IUPAC Name: (dicyclopropylmethylideneamino) acetate
SYSTEMATIC NAME: (dicyclopropylmethylideneamino) ethanoate
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: CC(=O)ON=C(C1CC1)C2CC2
Structure:

CAS RN: 1453-50-5
CAS Name: N-cyclopropylcyclopropanecarboxamide
OPENEYE Name: N-cyclopropylcyclopropanecarboxamide
IUPAC Name: N-cyclopropylcyclopropanecarboxamide
SYSTEMATIC NAME: N-cyclopropylcyclopropanecarboxamide
MOLECULAR FORMULA: C7H11NO
MOLECULAR WEIGHT: 125.16834
SMILES: C1CC1C(=O)NC2CC2
Structure:

CAS RN: 5816-93-3
CAS Name: nitric acid [2-nitro-1-(2-nitrophenyl)ethyl] ester
OPENEYE Name: [2-nitro-1-(2-nitrophenyl)ethyl] nitrate
IUPAC Name: [2-nitro-1-(2-nitrophenyl)ethyl] nitrate
SYSTEMATIC NAME: [2-nitro-1-(2-nitrophenyl)ethyl] nitrate
MOLECULAR FORMULA: C8H7N3O7
MOLECULAR WEIGHT: 257.15708
SMILES: C1=CC=C(C(=C1)C(C[N+](=O)[O-])O[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 21543-30-6
CAS Name: 2-(5-aminopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
OPENEYE Name: 2-(5-aminopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
IUPAC Name: 2-(5-aminopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SYSTEMATIC NAME: 2-(5-azanylpentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
MOLECULAR FORMULA: C12H20N4
MOLECULAR WEIGHT: 220.314
SMILES: C1CC2=C(C1)N=C(N=C2N)CCCCCN
Structure:

CAS RN: 45015-91-6
CAS Name: 2-(propylthio)butanedioic acid
OPENEYE Name: 2-propylsulfanylbutanedioic acid
IUPAC Name: 2-propylsulfanylbutanedioic acid
SYSTEMATIC NAME: 2-propylsulfanylbutanedioic acid
MOLECULAR FORMULA: C7H12O4S
MOLECULAR WEIGHT: 192.23278
SMILES: CCCSC(CC(=O)O)C(=O)O
Structure:

CAS RN: 28287-12-9
CAS Name: N-[4-[4-(dimethylaminoazo)-3-methoxyphenyl]-2-methoxyphenyl]azo-N-methylmethanamine
OPENEYE Name: N-[4-[4-(dimethylaminoazo)-3-methoxy-phenyl]-2-methoxy-phenyl]azo-N-methyl-methanamine
IUPAC Name: N-[[4-[4-(dimethylaminodiazenyl)-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-N-methylmethanamine
SYSTEMATIC NAME: N-[[4-[4-(dimethylaminodiazenyl)-3-methoxy-phenyl]-2-methoxy-phenyl]diazenyl]-N-methyl-methanamine
MOLECULAR FORMULA: C18H24N6O2
MOLECULAR WEIGHT: 356.42216
SMILES: CN(C)N=NC1=C(C=C(C=C1)C2=CC(=C(C=C2)N=NN(C)C)OC)OC
Structure:

CAS RN: 99361-50-9
CAS Name: 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]acetic acid
OPENEYE Name: 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
IUPAC Name: 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetic acid
SYSTEMATIC NAME: 2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoic acid
MOLECULAR FORMULA: C10H8N2O3S
MOLECULAR WEIGHT: 236.24712
SMILES: C1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)O
Structure:

CAS RN: 5254-24-0
CAS Name: 3-methoxy-1-methyl-2-[2-methyl-3-(3-methylbutyl)-2-oxiranyl]cyclohexane-1,4-diol
OPENEYE Name: 2-(3-isopentyl-2-methyl-oxiran-2-yl)-3-methoxy-1-methyl-cyclohexane-1,4-diol
IUPAC Name: 3-methoxy-1-methyl-2-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]cyclohexane-1,4-diol
SYSTEMATIC NAME: 3-methoxy-1-methyl-2-[2-methyl-3-(3-methylbutyl)oxiran-2-yl]cyclohexane-1,4-diol
MOLECULAR FORMULA: C16H30O4
MOLECULAR WEIGHT: 286.407
SMILES: CC(C)CCC1C(O1)(C)C2C(C(CCC2(C)O)O)OC
Structure:

CAS RN: 53983-31-6
CAS Name: 3-phenyl-1,3,5-thiadiazinane-2-thione
OPENEYE Name: 3-phenyl-1,3,5-thiadiazinane-2-thione
IUPAC Name: 3-phenyl-1,3,5-thiadiazinane-2-thione
SYSTEMATIC NAME: 3-phenyl-1,3,5-thiadiazinane-2-thione
MOLECULAR FORMULA: C9H10N2S2
MOLECULAR WEIGHT: 210.3191
SMILES: C1NCSC(=S)N1C2=CC=CC=C2
Structure:

CAS RN: 966-71-2
CAS Name: 1-(4-methylphenyl)sulfinyl-2,4-dinitrobenzene
OPENEYE Name: 2,4-dinitro-1-(p-tolylsulfinyl)benzene
IUPAC Name: 1-(4-methylphenyl)sulfinyl-2,4-dinitrobenzene
SYSTEMATIC NAME: 1-(4-methylphenyl)sulfinyl-2,4-dinitro-benzene
MOLECULAR FORMULA: C13H10N2O5S
MOLECULAR WEIGHT: 306.2939
SMILES: CC1=CC=C(C=C1)S(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 14318-38-8
CAS Name: 5-methyl-3-phenyl-1,3,5-thiadiazinane-2-thione
OPENEYE Name: 5-methyl-3-phenyl-1,3,5-thiadiazinane-2-thione
IUPAC Name: 5-methyl-3-phenyl-1,3,5-thiadiazinane-2-thione
SYSTEMATIC NAME: 5-methyl-3-phenyl-1,3,5-thiadiazinane-2-thione
MOLECULAR FORMULA: C10H12N2S2
MOLECULAR WEIGHT: 224.34568
SMILES: CN1CN(C(=S)SC1)C2=CC=CC=C2
Structure:

CAS RN: 81512-53-0
CAS Name: 1-(2-chlorophenyl)-N-[2-[(2-chlorophenyl)methylideneamino]ethyl]methanimine
OPENEYE Name: 1-(2-chlorophenyl)-N-[2-[(2-chlorophenyl)methyleneamino]ethyl]methanimine
IUPAC Name: 1-(2-chlorophenyl)-N-[2-[(2-chlorophenyl)methylideneamino]ethyl]methanimine
SYSTEMATIC NAME: 1-(2-chlorophenyl)-N-[2-[(2-chlorophenyl)methylideneamino]ethyl]methanimine
MOLECULAR FORMULA: C16H14Cl2N2
MOLECULAR WEIGHT: 305.20176
SMILES: C1=CC=C(C(=C1)C=NCCN=CC2=CC=CC=C2Cl)Cl
Structure:

CAS RN: 3116-85-6
CAS Name: 1-(2-methoxyphenyl)-N-[2-[(2-methoxyphenyl)methylideneamino]ethyl]methanimine
OPENEYE Name: 1-(2-methoxyphenyl)-N-[2-[(2-methoxyphenyl)methyleneamino]ethyl]methanimine
IUPAC Name: 1-(2-methoxyphenyl)-N-[2-[(2-methoxyphenyl)methylideneamino]ethyl]methanimine
SYSTEMATIC NAME: 1-(2-methoxyphenyl)-N-[2-[(2-methoxyphenyl)methylideneamino]ethyl]methanimine
MOLECULAR FORMULA: C18H20N2O2
MOLECULAR WEIGHT: 296.3636
SMILES: COC1=CC=CC=C1C=NCCN=CC2=CC=CC=C2OC
Structure:

CAS RN: 2977-39-1
CAS Name: 3,4-dimethyl-3-phenylpentanoic acid
OPENEYE Name: 3,4-dimethyl-3-phenyl-pentanoic acid
IUPAC Name: 3,4-dimethyl-3-phenylpentanoic acid
SYSTEMATIC NAME: 3,4-dimethyl-3-phenyl-pentanoic acid
MOLECULAR FORMULA: C13H18O2
MOLECULAR WEIGHT: 206.28082
SMILES: CC(C)C(C)(CC(=O)O)C1=CC=CC=C1
Structure:

CAS RN: 39909-07-4
CAS Name: [(2-amino-4-oxo-1H-pteridin-6-yl)methylideneamino]urea
OPENEYE Name: [(2-amino-4-oxo-1H-pteridin-6-yl)methyleneamino]urea
IUPAC Name: [(2-amino-4-oxo-1H-pteridin-6-yl)methylideneamino]urea
SYSTEMATIC NAME: 1-[(2-azanyl-4-oxidanylidene-1H-pteridin-6-yl)methylideneamino]urea
MOLECULAR FORMULA: C8H8N8O2
MOLECULAR WEIGHT: 248.20152
SMILES: C1=C(N=C2C(=N1)NC(=NC2=O)N)C=NNC(=O)N
Structure:

CAS RN: 34139-57-6
CAS Name: 1,2,4-oxadiazole-3,5-diamine
OPENEYE Name: 1,2,4-oxadiazole-3,5-diamine
IUPAC Name: 1,2,4-oxadiazole-3,5-diamine
SYSTEMATIC NAME: 1,2,4-oxadiazole-3,5-diamine
MOLECULAR FORMULA: C2H4N4O
MOLECULAR WEIGHT: 100.07936
SMILES: C1(=NOC(=N1)N)N
Structure:

CAS RN: 54716-29-9
CAS Name: 2-(propan-2-ylideneamino)oxypropanoic acid ethyl ester
OPENEYE Name: ethyl 2-(isopropylideneamino)oxypropanoate
IUPAC Name: ethyl 2-(propan-2-ylideneamino)oxypropanoate
SYSTEMATIC NAME: ethyl 2-(propan-2-ylideneamino)oxypropanoate
MOLECULAR FORMULA: C8H15NO3
MOLECULAR WEIGHT: 173.2096
SMILES: CCOC(=O)C(C)ON=C(C)C
Structure:

CAS RN: 69390-17-6
CAS Name: 2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
OPENEYE Name: 2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
IUPAC Name: 2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SYSTEMATIC NAME: 2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
MOLECULAR FORMULA: C8H11N3
MOLECULAR WEIGHT: 149.19304
SMILES: CC1=NC2=C(CCC2)C(=N1)N
Structure:

CAS RN: 14401-99-1
CAS Name: 3,5-dinitro-N-(2-phenylethyl)benzamide
OPENEYE Name: 3,5-dinitro-N-(2-phenylethyl)benzamide
IUPAC Name: 3,5-dinitro-N-(2-phenylethyl)benzamide
SYSTEMATIC NAME: 3,5-dinitro-N-(2-phenylethyl)benzamide
MOLECULAR FORMULA: C15H13N3O5
MOLECULAR WEIGHT: 315.28082
SMILES: C1=CC=C(C=C1)CCNC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:

CAS RN: 79883-94-6
CAS Name: N-(2-hydroxyethyl)-3,5-dinitrobenzamide
OPENEYE Name: N-(2-hydroxyethyl)-3,5-dinitro-benzamide
IUPAC Name: N-(2-hydroxyethyl)-3,5-dinitrobenzamide
SYSTEMATIC NAME: N-(2-hydroxyethyl)-3,5-dinitro-benzamide
MOLECULAR FORMULA: C9H9N3O6
MOLECULAR WEIGHT: 255.18426
SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCO
Structure:

No comments:

Post a Comment