CAS RN: 51335-89-8
CAS Name: 1-[5-(4-bromophenyl)-2-thiophenyl]ethanone
OPENEYE Name: 1-[5-(4-bromophenyl)-2-thienyl]ethanone
IUPAC Name: 1-[5-(4-bromophenyl)thiophen-2-yl]ethanone
SYSTEMATIC NAME: 1-[5-(4-bromophenyl)thiophen-2-yl]ethanone
MOLECULAR FORMULA: C12H9BrOS
MOLECULAR WEIGHT: 281.16826
SMILES: CC(=O)C1=CC=C(S1)C2=CC=C(C=C2)Br
Structure:
CAS RN: 99448-81-4
CAS Name: 5,6-dinitro-1-(phenylmethyl)indole-2,3-dione
OPENEYE Name: 1-benzyl-5,6-dinitro-indoline-2,3-dione
IUPAC Name: 1-benzyl-5,6-dinitroindole-2,3-dione
SYSTEMATIC NAME: 5,6-dinitro-1-(phenylmethyl)indole-2,3-dione
MOLECULAR FORMULA: C15H9N3O6
MOLECULAR WEIGHT: 327.24846
SMILES: C1=CC=C(C=C1)CN2C3=CC(=C(C=C3C(=O)C2=O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 7250-02-4
CAS Name: 1-(4-morpholinyl)-3-prop-2-enylthiourea
OPENEYE Name: 1-allyl-3-morpholino-thiourea
IUPAC Name: 1-morpholin-4-yl-3-prop-2-enylthiourea
SYSTEMATIC NAME: 1-morpholin-4-yl-3-prop-2-enyl-thiourea
MOLECULAR FORMULA: C8H15N3OS
MOLECULAR WEIGHT: 201.2892
SMILES: C=CCNC(=S)NN1CCOCC1
Structure:
CAS RN: 33582-66-0
CAS Name: 4-[[cyclobutyl(oxo)methyl]amino]benzoic acid
OPENEYE Name: 4-(cyclobutanecarbonylamino)benzoic acid
IUPAC Name: 4-(cyclobutanecarbonylamino)benzoic acid
SYSTEMATIC NAME: 4-(cyclobutylcarbonylamino)benzoic acid
MOLECULAR FORMULA: C12H13NO3
MOLECULAR WEIGHT: 219.23652
SMILES: C1CC(C1)C(=O)NC2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 500-98-1
CAS Name: 2-[(1-oxo-2-phenylethyl)amino]acetate
OPENEYE Name: 2-[(2-phenylacetyl)amino]acetate
IUPAC Name: 2-[(2-phenylacetyl)amino]acetate
SYSTEMATIC NAME: 2-(2-phenylethanoylamino)ethanoate
MOLECULAR FORMULA: C10H10NO3-
MOLECULAR WEIGHT: 192.1913
SMILES: C1=CC=C(C=C1)CC(=O)NCC(=O)[O-]
Structure:
CAS RN: 32832-01-2
CAS Name: 2,4-dichlorobenzoic acid [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester
OPENEYE Name: [17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,4-dichlorobenzoate
IUPAC Name: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,4-dichlorobenzoate
SYSTEMATIC NAME: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2,4-bis(chloranyl)benzoate
MOLECULAR FORMULA: C34H48Cl2O2
MOLECULAR WEIGHT: 559.64972
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=C(C=C(C=C5)Cl)Cl)C)C
Structure:
CAS RN: 7206-70-4
CAS Name: 4-amino-5-chloro-2-methoxybenzoate
OPENEYE Name: 4-amino-5-chloro-2-methoxy-benzoate
IUPAC Name: 4-amino-5-chloro-2-methoxybenzoate
SYSTEMATIC NAME: 4-azanyl-5-chloranyl-2-methoxy-benzoate
MOLECULAR FORMULA: C8H7ClNO3-
MOLECULAR WEIGHT: 200.59908
SMILES: COC1=CC(=C(C=C1C(=O)[O-])Cl)N
Structure:
CAS RN: 2274-34-2
CAS Name: 10-(2-hydroxy-4-nitroanilino)-10-oxodecanoic acid ethyl ester
OPENEYE Name: ethyl 10-(2-hydroxy-4-nitro-anilino)-10-oxo-decanoate
IUPAC Name: ethyl 10-(2-hydroxy-4-nitroanilino)-10-oxodecanoate
SYSTEMATIC NAME: ethyl 10-[(4-nitro-2-oxidanyl-phenyl)amino]-10-oxidanylidene-decanoate
MOLECULAR FORMULA: C18H26N2O6
MOLECULAR WEIGHT: 366.40884
SMILES: CCOC(=O)CCCCCCCCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])O
Structure:
CAS RN: 887574-80-3
CAS Name: 5,8-dihydroxy-4a,8a-dihydronaphthalene-1,4-dione
OPENEYE Name: 5,8-dihydroxy-4a,8a-dihydronaphthalene-1,4-dione
IUPAC Name: 5,8-dihydroxy-4a,8a-dihydronaphthalene-1,4-dione
SYSTEMATIC NAME: 5,8-bis(oxidanyl)-4a,8a-dihydronaphthalene-1,4-dione
MOLECULAR FORMULA: C10H8O4
MOLECULAR WEIGHT: 192.16812
SMILES: C1=CC(=O)C2C(C1=O)C(=CC=C2O)O
Structure:
CAS RN: 125772-42-1
CAS Name: 4-tert-butylbenzenecarboximidamide
OPENEYE Name: 4-tert-butylbenzamidine
IUPAC Name: 4-tert-butylbenzenecarboximidamide
SYSTEMATIC NAME: 4-tert-butylbenzenecarboximidamide
MOLECULAR FORMULA: C11H16N2
MOLECULAR WEIGHT: 176.25814
SMILES: CC(C)(C)C1=CC=C(C=C1)C(=N)N
Structure:
CAS RN: 162696-15-3
CAS Name: N-[(4-carbamimidoylphenyl)methyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(4-carbamimidoylphenyl)methyl]carbamate
IUPAC Name: tert-butyl N-[(4-carbamimidoylphenyl)methyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(4-carbamimidoylphenyl)methyl]carbamate
MOLECULAR FORMULA: C13H19N3O2
MOLECULAR WEIGHT: 249.30886
SMILES: CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=N)N
Structure:
CAS RN: 10184-21-1
CAS Name: N-(diphenylmethyl)-7H-purin-6-amine
OPENEYE Name: N-benzhydryl-7H-purin-6-amine
IUPAC Name: N-benzhydryl-7H-purin-6-amine
SYSTEMATIC NAME: N-(diphenylmethyl)-7H-purin-6-amine
MOLECULAR FORMULA: C18H15N5
MOLECULAR WEIGHT: 301.3452
SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)NC3=NC=NC4=C3NC=N4
Structure:
CAS RN: 12122-67-7
CAS Name: N-[2-[[sulfanylidene(sulfido)methyl]amino]ethyl]carbamodithioate
OPENEYE Name: N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
IUPAC Name: N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate
SYSTEMATIC NAME: N-[2-(sulfanidylcarbothioylamino)ethyl]carbamodithioate
MOLECULAR FORMULA: C4H6N2S4-2
MOLECULAR WEIGHT: 210.36384
SMILES: C(CNC(=S)[S-])NC(=S)[S-]
Structure:
CAS RN: 73365-02-3
CAS Name: 2-formyl-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-formylpyrrolidine-1-carboxylate
IUPAC Name: tert-butyl 2-formylpyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 2-methanoylpyrrolidine-1-carboxylate
MOLECULAR FORMULA: C10H17NO3
MOLECULAR WEIGHT: 199.24688
SMILES: CC(C)(C)OC(=O)N1CCCC1C=O
Structure:
CAS RN: 69610-41-9
CAS Name: 2-formyl-1-pyrrolidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 2-formylpyrrolidine-1-carboxylate
IUPAC Name: tert-butyl 2-formylpyrrolidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 2-methanoylpyrrolidine-1-carboxylate
MOLECULAR FORMULA: C10H17NO3
MOLECULAR WEIGHT: 199.24688
SMILES: CC(C)(C)OC(=O)N1CCCC1C=O
Structure:
CAS RN: 207683-26-9
CAS Name: 1-[1-pyrrolidin-1-iumylidene(1-pyrrolidinyl)methoxy]pyrrolidine-2,5-dione
OPENEYE Name: 1-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]pyrrolidine-2,5-dione
IUPAC Name: 1-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]pyrrolidine-2,5-dione
SYSTEMATIC NAME: 1-[pyrrolidin-1-ium-1-ylidene(pyrrolidin-1-yl)methoxy]pyrrolidine-2,5-dione
MOLECULAR FORMULA: C13H20N3O3+
MOLECULAR WEIGHT: 266.3162
SMILES: C1CCN(C1)C(=[N+]2CCCC2)ON3C(=O)CCC3=O
Structure:
CAS RN: 31706-57-7
CAS Name: 6-methyl-3,4-dihydro-1H-naphthalen-2-one
OPENEYE Name: 6-methyltetralin-2-one
IUPAC Name: 6-methyl-3,4-dihydro-1H-naphthalen-2-one
SYSTEMATIC NAME: 6-methyl-3,4-dihydro-1H-naphthalen-2-one
MOLECULAR FORMULA: C11H12O
MOLECULAR WEIGHT: 160.21238
SMILES: CC1=CC2=C(CC(=O)CC2)C=C1
Structure:
CAS RN: 88522-30-9
CAS Name: 3-[(2,5-dichlorophenyl)sulfonylamino]benzoate
OPENEYE Name: 3-[(2,5-dichlorophenyl)sulfonylamino]benzoate
IUPAC Name: 3-[(2,5-dichlorophenyl)sulfonylamino]benzoate
SYSTEMATIC NAME: 3-[[2,5-bis(chloranyl)phenyl]sulfonylamino]benzoate
MOLECULAR FORMULA: C13H8Cl2NO4S-
MOLECULAR WEIGHT: 345.17792
SMILES: C1=CC(=CC(=C1)NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)C(=O)[O-]
Structure:
CAS RN: 301180-05-2
CAS Name: 3-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl piperidine-3-carboxylate
IUPAC Name: tert-butyl piperidine-3-carboxylate
SYSTEMATIC NAME: tert-butyl piperidine-3-carboxylate
MOLECULAR FORMULA: C10H19NO2
MOLECULAR WEIGHT: 185.26336
SMILES: CC(C)(C)OC(=O)C1CCCNC1
Structure:
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