CAS RN: 868-73-5
CAS Name: 2,6-dibromoheptanedioic acid dimethyl ester
OPENEYE Name: dimethyl 2,6-dibromoheptanedioate
IUPAC Name: dimethyl 2,6-dibromoheptanedioate
SYSTEMATIC NAME: dimethyl 2,6-bis(bromanyl)heptanedioate
MOLECULAR FORMULA: C9H14Br2O4
MOLECULAR WEIGHT: 346.01306
SMILES: COC(=O)C(CCCC(C(=O)OC)Br)Br
Structure:
CAS RN: 3128-15-2
CAS Name: cyclopentene-1,2-dicarboxylic acid
OPENEYE Name: cyclopentene-1,2-dicarboxylic acid
IUPAC Name: cyclopentene-1,2-dicarboxylic acid
SYSTEMATIC NAME: cyclopentene-1,2-dicarboxylic acid
MOLECULAR FORMULA: C7H8O4
MOLECULAR WEIGHT: 156.13602
SMILES: C1CC(=C(C1)C(=O)O)C(=O)O
Structure:
CAS RN: 13368-79-1
CAS Name: cyclopentene-1,2-dicarboxylic acid dimethyl ester
OPENEYE Name: dimethyl cyclopentene-1,2-dicarboxylate
IUPAC Name: dimethyl cyclopentene-1,2-dicarboxylate
SYSTEMATIC NAME: dimethyl cyclopentene-1,2-dicarboxylate
MOLECULAR FORMULA: C9H12O4
MOLECULAR WEIGHT: 184.18918
SMILES: COC(=O)C1=C(CCC1)C(=O)OC
Structure:
CAS RN: 62291-37-6
CAS Name: 2-carbamoyl-1-cyclopentenecarboxylic acid
OPENEYE Name: 2-carbamoylcyclopentene-1-carboxylic acid
IUPAC Name: 2-carbamoylcyclopentene-1-carboxylic acid
SYSTEMATIC NAME: 2-aminocarbonylcyclopentene-1-carboxylic acid
MOLECULAR FORMULA: C7H9NO3
MOLECULAR WEIGHT: 155.15126
SMILES: C1CC(=C(C1)C(=O)O)C(=O)N
Structure:
CAS RN: 3205-94-5
CAS Name: 5,6-dihydro-4H-cyclopenta[c]furan-1,3-dione
OPENEYE Name: 5,6-dihydro-4H-cyclopenta[c]furan-1,3-dione
IUPAC Name: 5,6-dihydro-4H-cyclopenta[c]furan-1,3-dione
SYSTEMATIC NAME: 5,6-dihydro-4H-cyclopenta[c]furan-1,3-dione
MOLECULAR FORMULA: C7H6O3
MOLECULAR WEIGHT: 138.12074
SMILES: C1CC2=C(C1)C(=O)OC2=O
Structure:
CAS RN: 80938-29-0
CAS Name: 1-chloro-3-nonoxy-2-propanol
OPENEYE Name: 1-chloro-3-nonoxy-propan-2-ol
IUPAC Name: 1-chloro-3-nonoxypropan-2-ol
SYSTEMATIC NAME: 1-chloranyl-3-nonoxy-propan-2-ol
MOLECULAR FORMULA: C12H25ClO2
MOLECULAR WEIGHT: 236.7787
SMILES: CCCCCCCCCOCC(CCl)O
Structure:
CAS RN: 53316-72-6
CAS Name: N-[4-[(5-nitro-2-thiazolyl)thio]phenyl]acetamide
OPENEYE Name: N-[4-(5-nitrothiazol-2-yl)sulfanylphenyl]acetamide
IUPAC Name: N-[4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]phenyl]ethanamide
MOLECULAR FORMULA: C11H9N3O3S2
MOLECULAR WEIGHT: 295.33746
SMILES: CC(=O)NC1=CC=C(C=C1)SC2=NC=C(S2)[N+](=O)[O-]
Structure:
CAS RN: 60516-05-4
CAS Name: N-[4-[(5-nitro-2-thiophenyl)sulfonyl]phenyl]acetamide
OPENEYE Name: N-[4-[(5-nitro-2-thienyl)sulfonyl]phenyl]acetamide
IUPAC Name: N-[4-(5-nitrothiophen-2-yl)sulfonylphenyl]acetamide
SYSTEMATIC NAME: N-[4-(5-nitrothiophen-2-yl)sulfonylphenyl]ethanamide
MOLECULAR FORMULA: C12H10N2O5S2
MOLECULAR WEIGHT: 326.3482
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(S2)[N+](=O)[O-]
Structure:
CAS RN: 60515-99-3
CAS Name: 4-(4-nitrophenyl)sulfonyl-N-(1-piperidinylmethyl)aniline
OPENEYE Name: 4-(4-nitrophenyl)sulfonyl-N-(1-piperidylmethyl)aniline
IUPAC Name: 4-(4-nitrophenyl)sulfonyl-N-(piperidin-1-ylmethyl)aniline
SYSTEMATIC NAME: 4-(4-nitrophenyl)sulfonyl-N-(piperidin-1-ylmethyl)aniline
MOLECULAR FORMULA: C18H21N3O4S
MOLECULAR WEIGHT: 375.44204
SMILES: C1CCN(CC1)CNC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 60515-98-2
CAS Name: N,N-diethyl-4-[[4-(4-nitrophenyl)sulfonylphenyl]iminomethyl]aniline
OPENEYE Name: N,N-diethyl-4-[[4-(4-nitrophenyl)sulfonylphenyl]iminomethyl]aniline
IUPAC Name: N,N-diethyl-4-[[4-(4-nitrophenyl)sulfonylphenyl]iminomethyl]aniline
SYSTEMATIC NAME: N,N-diethyl-4-[[4-(4-nitrophenyl)sulfonylphenyl]iminomethyl]aniline
MOLECULAR FORMULA: C23H23N3O4S
MOLECULAR WEIGHT: 437.51142
SMILES: CCN(CC)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 60515-97-1
CAS Name: N-[4-(4-nitrophenyl)sulfonylphenyl]-1-[4-[[4-(4-nitrophenyl)sulfonylphenyl]iminomethyl]phenyl]methanimine
OPENEYE Name: N-[4-(4-nitrophenyl)sulfonylphenyl]-1-[4-[[4-(4-nitrophenyl)sulfonylphenyl]iminomethyl]phenyl]methanimine
IUPAC Name: N-[4-(4-nitrophenyl)sulfonylphenyl]-1-[4-[[4-(4-nitrophenyl)sulfonylphenyl]iminomethyl]phenyl]methanimine
SYSTEMATIC NAME: N-[4-(4-nitrophenyl)sulfonylphenyl]-1-[4-[[4-(4-nitrophenyl)sulfonylphenyl]iminomethyl]phenyl]methanimine
MOLECULAR FORMULA: C32H22N4O8S2
MOLECULAR WEIGHT: 654.66908
SMILES: C1=CC(=CC=C1C=NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=NC4=CC=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]
Structure:
CAS RN: 60515-96-0
CAS Name: N,N'-bis[4-(4-nitrophenyl)sulfonylphenyl]methanimidamide
OPENEYE Name: N,N'-bis[4-(4-nitrophenyl)sulfonylphenyl]formamidine
IUPAC Name: N,N'-bis[4-(4-nitrophenyl)sulfonylphenyl]methanimidamide
SYSTEMATIC NAME: N,N'-bis[4-(4-nitrophenyl)sulfonylphenyl]methanimidamide
MOLECULAR FORMULA: C25H18N4O8S2
MOLECULAR WEIGHT: 566.56242
SMILES: C1=CC(=CC=C1NC=NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]
Structure:
CAS RN: 60515-87-9
CAS Name: N-[4-(4-nitrophenyl)sulfonylphenyl]-2-oxo-1-imidazolidinecarboxamide
OPENEYE Name: N-[4-(4-nitrophenyl)sulfonylphenyl]-2-oxo-imidazolidine-1-carboxamide
IUPAC Name: N-[4-(4-nitrophenyl)sulfonylphenyl]-2-oxoimidazolidine-1-carboxamide
SYSTEMATIC NAME: N-[4-(4-nitrophenyl)sulfonylphenyl]-2-oxidanylidene-imidazolidine-1-carboxamide
MOLECULAR FORMULA: C16H14N4O6S
MOLECULAR WEIGHT: 390.37056
SMILES: C1CN(C(=O)N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 60515-85-7
CAS Name: 1-(1-hydroxybutan-2-yl)-3-[4-(4-nitrophenyl)sulfonylphenyl]urea
OPENEYE Name: 1-[1-(hydroxymethyl)propyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea
IUPAC Name: 1-(1-hydroxybutan-2-yl)-3-[4-(4-nitrophenyl)sulfonylphenyl]urea
SYSTEMATIC NAME: 1-[4-(4-nitrophenyl)sulfonylphenyl]-3-(1-oxidanylbutan-2-yl)urea
MOLECULAR FORMULA: C17H19N3O6S
MOLECULAR WEIGHT: 393.41426
SMILES: CCC(CO)NC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 60515-83-5
CAS Name: 1-(1-chlorobutan-2-yl)-3-[4-(4-nitrophenyl)sulfonylphenyl]urea
OPENEYE Name: 1-[1-(chloromethyl)propyl]-3-[4-(4-nitrophenyl)sulfonylphenyl]urea
IUPAC Name: 1-(1-chlorobutan-2-yl)-3-[4-(4-nitrophenyl)sulfonylphenyl]urea
SYSTEMATIC NAME: 1-(1-chloranylbutan-2-yl)-3-[4-(4-nitrophenyl)sulfonylphenyl]urea
MOLECULAR FORMULA: C17H18ClN3O5S
MOLECULAR WEIGHT: 411.85992
SMILES: CCC(CCl)NC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 60515-82-4
CAS Name: 1-(2-chloroethyl)-3-[4-(4-nitrophenyl)sulfonylphenyl]urea
OPENEYE Name: 1-(2-chloroethyl)-3-[4-(4-nitrophenyl)sulfonylphenyl]urea
IUPAC Name: 1-(2-chloroethyl)-3-[4-(4-nitrophenyl)sulfonylphenyl]urea
SYSTEMATIC NAME: 1-(2-chloroethyl)-3-[4-(4-nitrophenyl)sulfonylphenyl]urea
MOLECULAR FORMULA: C15H14ClN3O5S
MOLECULAR WEIGHT: 383.80676
SMILES: C1=CC(=CC=C1NC(=O)NCCCl)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 60515-80-2
CAS Name: 2-(butylamino)-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide
OPENEYE Name: 2-(butylamino)-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide
IUPAC Name: 2-(butylamino)-N-[4-(4-nitrophenyl)sulfonylphenyl]acetamide
SYSTEMATIC NAME: 2-(butylamino)-N-[4-(4-nitrophenyl)sulfonylphenyl]ethanamide
MOLECULAR FORMULA: C18H21N3O5S
MOLECULAR WEIGHT: 391.44144
SMILES: CCCCNCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 64762-54-5
CAS Name: 7-methyl-3-[3-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridine
OPENEYE Name: 7-methyl-3-[3-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridine
IUPAC Name: 7-methyl-3-[3-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridine
SYSTEMATIC NAME: 7-methyl-3-[3-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-[1,2,4]triazolo[4,3-a]pyridine
MOLECULAR FORMULA: C17H18N6
MOLECULAR WEIGHT: 306.36502
SMILES: CC1=CC2=NN=C(N2C=C1)CCCC3=NN=C4N3C=CC(=C4)C
Structure:
CAS RN: 73084-05-6
CAS Name: N-(1,3,4-thiadiazol-2-yl)-2-thiophenecarboxamide
OPENEYE Name: N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
IUPAC Name: N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SYSTEMATIC NAME: N-(1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
MOLECULAR FORMULA: C7H5N3OS2
MOLECULAR WEIGHT: 211.2641
SMILES: C1=CSC(=C1)C(=O)NC2=NN=CS2
Structure:
CAS RN: 60998-66-5
CAS Name: 4,6,8-trimethyl-2-cyclohepta[b]furanone
OPENEYE Name: 4,6,8-trimethylcyclohepta[b]furan-2-one
IUPAC Name: 4,6,8-trimethylcyclohepta[b]furan-2-one
SYSTEMATIC NAME: 4,6,8-trimethylcyclohepta[b]furan-2-one
MOLECULAR FORMULA: C12H12O2
MOLECULAR WEIGHT: 188.22248
SMILES: CC1=CC(=C2C(=CC(=O)O2)C(=C1)C)C
Structure:
CAS RN: 4481-35-0
CAS Name: 2-cyclohepta[b]furanone
OPENEYE Name: cyclohepta[b]furan-2-one
IUPAC Name: cyclohepta[b]furan-2-one
SYSTEMATIC NAME: cyclohepta[b]furan-2-one
MOLECULAR FORMULA: C9H6O2
MOLECULAR WEIGHT: 146.14274
SMILES: C1=CC=C2C(=CC(=O)O2)C=C1
Structure:
CAS RN: 60326-05-8
CAS Name: N,N,6-trimethyl-3,5-diphenyl-4-pyridazinamine
OPENEYE Name: N,N,6-trimethyl-3,5-diphenyl-pyridazin-4-amine
IUPAC Name: N,N,6-trimethyl-3,5-diphenylpyridazin-4-amine
SYSTEMATIC NAME: N,N,6-trimethyl-3,5-diphenyl-pyridazin-4-amine
MOLECULAR FORMULA: C19H19N3
MOLECULAR WEIGHT: 289.37426
SMILES: CC1=NN=C(C(=C1C2=CC=CC=C2)N(C)C)C3=CC=CC=C3
Structure:
CAS RN: 60326-03-6
CAS Name: N,3-dimethyl-N,6-diphenyl-4-pyridazinamine
OPENEYE Name: N,3-dimethyl-N,6-diphenyl-pyridazin-4-amine
IUPAC Name: N,3-dimethyl-N,6-diphenylpyridazin-4-amine
SYSTEMATIC NAME: N,3-dimethyl-N,6-diphenyl-pyridazin-4-amine
MOLECULAR FORMULA: C18H17N3
MOLECULAR WEIGHT: 275.34768
SMILES: CC1=NN=C(C=C1N(C)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 60326-01-4
CAS Name: N,N-dimethyl-3,5,6-triphenyl-4-pyridazinamine
OPENEYE Name: N,N-dimethyl-3,5,6-triphenyl-pyridazin-4-amine
IUPAC Name: N,N-dimethyl-3,5,6-triphenylpyridazin-4-amine
SYSTEMATIC NAME: N,N-dimethyl-3,5,6-triphenyl-pyridazin-4-amine
MOLECULAR FORMULA: C24H21N3
MOLECULAR WEIGHT: 351.44364
SMILES: CN(C)C1=C(C(=NN=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 62347-95-9
CAS Name: 1,3-dimethyl-5-[[4-(methylamino)-3-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione
OPENEYE Name: 1,3-dimethyl-5-[[4-(methylamino)-3-nitro-phenyl]methylene]hexahydropyrimidine-2,4,6-trione
IUPAC Name: 1,3-dimethyl-5-[[4-(methylamino)-3-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1,3-dimethyl-5-[[4-(methylamino)-3-nitro-phenyl]methylidene]-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C14H14N4O5
MOLECULAR WEIGHT: 318.28476
SMILES: CNC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)N(C2=O)C)C)[N+](=O)[O-]
Structure:
CAS RN: 55894-85-4
CAS Name: 7-(hydroxyamino)-1-(methoxymethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one
OPENEYE Name: 7-(hydroxyamino)-1-(methoxymethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one
IUPAC Name: 7-(hydroxyamino)-1-(methoxymethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one
SYSTEMATIC NAME: 1-(methoxymethyl)-7-(oxidanylamino)-5-phenyl-3H-1,4-benzodiazepin-2-one
MOLECULAR FORMULA: C17H17N3O3
MOLECULAR WEIGHT: 311.33518
SMILES: COCN1C(=O)CN=C(C2=C1C=CC(=C2)NO)C3=CC=CC=C3
Structure:
CAS RN: 62853-32-1
CAS Name: 2-(hydroxymethyl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]thio]oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]sulfanyl-tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyloxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol
MOLECULAR FORMULA: C12H22O10S
MOLECULAR WEIGHT: 358.36208
SMILES: C(C1C(C(C(C(O1)SC2C(C(C(C(O2)CO)O)O)O)O)O)O)O
Structure:
CAS RN: 59882-12-1
CAS Name: 2-[1,1-diphenyl-3-(1-piperidinyl)propyl]-5-methyl-1,3,4-oxadiazole
OPENEYE Name: 2-[1,1-diphenyl-3-(1-piperidyl)propyl]-5-methyl-1,3,4-oxadiazole
IUPAC Name: 2-(1,1-diphenyl-3-piperidin-1-ylpropyl)-5-methyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-(1,1-diphenyl-3-piperidin-1-yl-propyl)-5-methyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C23H27N3O
MOLECULAR WEIGHT: 361.47998
SMILES: CC1=NN=C(O1)C(CCN2CCCCC2)(C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 57726-69-9
CAS Name: 2-[3-(3-azabicyclo[3.2.2]nonan-3-yl)-1,1-diphenylpropyl]-5-methyl-1,3,4-oxadiazole
OPENEYE Name: 2-[3-(3-azabicyclo[3.2.2]nonan-3-yl)-1,1-diphenyl-propyl]-5-methyl-1,3,4-oxadiazole
IUPAC Name: 2-[3-(3-azabicyclo[3.2.2]nonan-3-yl)-1,1-diphenylpropyl]-5-methyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[3-(3-azabicyclo[3.2.2]nonan-3-yl)-1,1-diphenyl-propyl]-5-methyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C26H31N3O
MOLECULAR WEIGHT: 401.54384
SMILES: CC1=NN=C(O1)C(CCN2CC3CCC(C2)CC3)(C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 57726-73-5
CAS Name: 2-[3-(7-azabicyclo[2.2.1]heptan-7-yl)-1,1-diphenylpropyl]-5-methyl-1,3,4-oxadiazole
OPENEYE Name: 2-[3-(7-azabicyclo[2.2.1]heptan-7-yl)-1,1-diphenyl-propyl]-5-methyl-1,3,4-oxadiazole
IUPAC Name: 2-[3-(7-azabicyclo[2.2.1]heptan-7-yl)-1,1-diphenylpropyl]-5-methyl-1,3,4-oxadiazole
SYSTEMATIC NAME: 2-[3-(7-azabicyclo[2.2.1]heptan-7-yl)-1,1-diphenyl-propyl]-5-methyl-1,3,4-oxadiazole
MOLECULAR FORMULA: C24H27N3O
MOLECULAR WEIGHT: 373.49068
SMILES: CC1=NN=C(O1)C(CCN2C3CCC2CC3)(C4=CC=CC=C4)C5=CC=CC=C5
Structure:
CAS RN: 15398-73-9
CAS Name: 1-isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene
OPENEYE Name: 1-isothiocyanato-4-(4-nitrophenyl)sulfonyl-benzene
IUPAC Name: 1-isothiocyanato-4-(4-nitrophenyl)sulfonylbenzene
SYSTEMATIC NAME: 1-isothiocyanato-4-(4-nitrophenyl)sulfonyl-benzene
MOLECULAR FORMULA: C13H8N2O4S2
MOLECULAR WEIGHT: 320.34362
SMILES: C1=CC(=CC=C1N=C=S)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 60515-95-9
CAS Name: N-[4-(4-nitrophenyl)sulfonylphenyl]-1-(1-pyrrolidinyl)methanimine
OPENEYE Name: N-[4-(4-nitrophenyl)sulfonylphenyl]-1-pyrrolidin-1-yl-methanimine
IUPAC Name: N-[4-(4-nitrophenyl)sulfonylphenyl]-1-pyrrolidin-1-ylmethanimine
SYSTEMATIC NAME: N-[4-(4-nitrophenyl)sulfonylphenyl]-1-pyrrolidin-1-yl-methanimine
MOLECULAR FORMULA: C17H17N3O4S
MOLECULAR WEIGHT: 359.39958
SMILES: C1CCN(C1)C=NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 60515-77-7
CAS Name: N-[4-(4-nitrophenyl)sulfonylphenyl]-4-pyridinecarboxamide
OPENEYE Name: N-[4-(4-nitrophenyl)sulfonylphenyl]pyridine-4-carboxamide
IUPAC Name: N-[4-(4-nitrophenyl)sulfonylphenyl]pyridine-4-carboxamide
SYSTEMATIC NAME: N-[4-(4-nitrophenyl)sulfonylphenyl]pyridine-4-carboxamide
MOLECULAR FORMULA: C18H13N3O5S
MOLECULAR WEIGHT: 383.37792
SMILES: C1=CC(=CC=C1NC(=O)C2=CC=NC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 54996-54-2
CAS Name: 2,1-benzothiaselenol-3-one
OPENEYE Name: 2,1-benzothiaselenol-3-one
IUPAC Name: 2,1-benzothiaselenol-3-one
SYSTEMATIC NAME: 2,1-benzothiaselenol-3-one
MOLECULAR FORMULA: C7H4OSSe
MOLECULAR WEIGHT: 215.13106
SMILES: C1=CC=C2C(=C1)C(=O)S[Se]2
Structure:
CAS RN: 32896-91-6
CAS Name: 1-methyl-3-nitro-2-pyridinone
OPENEYE Name: 1-methyl-3-nitro-pyridin-2-one
IUPAC Name: 1-methyl-3-nitropyridin-2-one
SYSTEMATIC NAME: 1-methyl-3-nitro-pyridin-2-one
MOLECULAR FORMULA: C6H6N2O3
MOLECULAR WEIGHT: 154.12344
SMILES: CN1C=CC=C(C1=O)[N+](=O)[O-]
Structure:
CAS RN: 60722-52-3
CAS Name: 7-(oxaloamino)-4-oxo-1H-benzo[h]quinoline-2-carboxylic acid
OPENEYE Name: 7-(oxaloamino)-4-oxo-1H-benzo[h]quinoline-2-carboxylic acid
IUPAC Name: 7-(oxaloamino)-4-oxo-1H-benzo[h]quinoline-2-carboxylic acid
SYSTEMATIC NAME: 7-(carboxycarbonylamino)-4-oxidanylidene-1H-benzo[h]quinoline-2-carboxylic acid
MOLECULAR FORMULA: C16H10N2O6
MOLECULAR WEIGHT: 326.2604
SMILES: C1=CC2=C(C=CC3=C2NC(=CC3=O)C(=O)O)C(=C1)NC(=O)C(=O)O
Structure:
CAS RN: 60722-51-2
CAS Name: 8-methyl-7-(oxaloamino)-4-oxo-1H-quinoline-2-carboxylic acid
OPENEYE Name: 8-methyl-7-(oxaloamino)-4-oxo-1H-quinoline-2-carboxylic acid
IUPAC Name: 8-methyl-7-(oxaloamino)-4-oxo-1H-quinoline-2-carboxylic acid
SYSTEMATIC NAME: 7-(carboxycarbonylamino)-8-methyl-4-oxidanylidene-1H-quinoline-2-carboxylic acid
MOLECULAR FORMULA: C13H10N2O6
MOLECULAR WEIGHT: 290.2283
SMILES: CC1=C(C=CC2=C1NC(=CC2=O)C(=O)O)NC(=O)C(=O)O
Structure:
CAS RN: 60722-50-1
CAS Name: 8-methyl-6-(oxaloamino)-4-oxo-1H-quinoline-2-carboxylic acid
OPENEYE Name: 8-methyl-6-(oxaloamino)-4-oxo-1H-quinoline-2-carboxylic acid
IUPAC Name: 8-methyl-6-(oxaloamino)-4-oxo-1H-quinoline-2-carboxylic acid
SYSTEMATIC NAME: 6-(carboxycarbonylamino)-8-methyl-4-oxidanylidene-1H-quinoline-2-carboxylic acid
MOLECULAR FORMULA: C13H10N2O6
MOLECULAR WEIGHT: 290.2283
SMILES: CC1=C2C(=CC(=C1)NC(=O)C(=O)O)C(=O)C=C(N2)C(=O)O
Structure:
CAS RN: 582-46-7
CAS Name: 4,5-dihydroxy-3-prop-1-enyl-1-cyclopent-2-enone
OPENEYE Name: 4,5-dihydroxy-3-prop-1-enyl-cyclopent-2-en-1-one
IUPAC Name: 4,5-dihydroxy-3-prop-1-enylcyclopent-2-en-1-one
SYSTEMATIC NAME: 4,5-bis(oxidanyl)-3-prop-1-enyl-cyclopent-2-en-1-one
MOLECULAR FORMULA: C8H10O3
MOLECULAR WEIGHT: 154.1632
SMILES: CC=CC1=CC(=O)C(C1O)O
Structure:
CAS RN: 32123-84-5
CAS Name: 3-phenyl-3-buten-2-one
OPENEYE Name: 3-phenylbut-3-en-2-one
IUPAC Name: 3-phenylbut-3-en-2-one
SYSTEMATIC NAME: 3-phenylbut-3-en-2-one
MOLECULAR FORMULA: C10H10O
MOLECULAR WEIGHT: 146.1858
SMILES: CC(=O)C(=C)C1=CC=CC=C1
Structure:
CAS RN: 25712-94-1
CAS Name: 2-(hydroxymethyl)-6-(4-hydroxy-3-methylphenoxy)oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-(4-hydroxy-3-methyl-phenoxy)tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-(4-hydroxy-3-methylphenoxy)oxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-(3-methyl-4-oxidanyl-phenoxy)oxane-3,4,5-triol
MOLECULAR FORMULA: C13H18O7
MOLECULAR WEIGHT: 286.27782
SMILES: CC1=C(C=CC(=C1)OC2C(C(C(C(O2)CO)O)O)O)O
Structure:
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