CAS RN: 26597-24-0
CAS Name: 5-oxo-N-[2-[[oxo-(5-oxo-2-pyrrolidinyl)methyl]hydrazinylidene]ethylideneamino]-2-pyrrolidinecarboxamide
OPENEYE Name: 5-oxo-N-[2-[(5-oxopyrrolidine-2-carbonyl)hydrazono]ethylideneamino]pyrrolidine-2-carboxamide
IUPAC Name: 5-oxo-N-[2-[(5-oxopyrrolidine-2-carbonyl)hydrazinylidene]ethylideneamino]pyrrolidine-2-carboxamide
SYSTEMATIC NAME: 5-oxidanylidene-N-[2-[(5-oxidanylidenepyrrolidin-2-yl)carbonylhydrazinylidene]ethylideneamino]pyrrolidine-2-carboxamide
MOLECULAR FORMULA: C12H16N6O4
MOLECULAR WEIGHT: 308.29324
SMILES: C1CC(=O)NC1C(=O)NN=CC=NNC(=O)C2CCC(=O)N2
Structure:
CAS RN: 854-17-1
CAS Name: 4,5-bis(4-fluoroanilino)cyclohexa-3,5-diene-1,2-dione
OPENEYE Name: 4,5-bis(4-fluoroanilino)-1,2-benzoquinone
IUPAC Name: 4,5-bis(4-fluoroanilino)cyclohexa-3,5-diene-1,2-dione
SYSTEMATIC NAME: 4,5-bis[(4-fluorophenyl)amino]cyclohexa-3,5-diene-1,2-dione
MOLECULAR FORMULA: C18H12F2N2O2
MOLECULAR WEIGHT: 326.296886
SMILES: C1=CC(=CC=C1NC2=CC(=O)C(=O)C=C2NC3=CC=C(C=C3)F)F
Structure:
CAS RN: 75640-08-3
CAS Name: 2,3-bis(phenylhydrazinylidene)propanoic acid
OPENEYE Name: 2,3-bis(phenylhydrazono)propanoic acid
IUPAC Name: 2,3-bis(phenylhydrazinylidene)propanoic acid
SYSTEMATIC NAME: 2,3-bis(phenylhydrazinylidene)propanoic acid
MOLECULAR FORMULA: C15H14N4O2
MOLECULAR WEIGHT: 282.29726
SMILES: C1=CC=C(C=C1)NN=CC(=NNC2=CC=CC=C2)C(=O)O
Structure:
CAS RN: 5608-87-7
CAS Name: 4-chloro-N-[5-(4-chlorophenyl)iminopenta-1,3-dienyl]aniline
OPENEYE Name: 4-chloro-N-[5-(4-chlorophenyl)iminopenta-1,3-dienyl]aniline
IUPAC Name: 4-chloro-N-[5-(4-chlorophenyl)iminopenta-1,3-dienyl]aniline
SYSTEMATIC NAME: 4-chloranyl-N-[5-(4-chlorophenyl)iminopenta-1,3-dienyl]aniline
MOLECULAR FORMULA: C17H14Cl2N2
MOLECULAR WEIGHT: 317.21246
SMILES: C1=CC(=CC=C1NC=CC=CC=NC2=CC=C(C=C2)Cl)Cl
Structure:
CAS RN: 16394-90-4
CAS Name: 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)imino]-2-phenyl-3-pyrazolone
OPENEYE Name: 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)imino]-2-phenyl-pyrazol-3-one
IUPAC Name: 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)imino]-2-phenylpyrazol-3-one
SYSTEMATIC NAME: 5-methyl-4-[(5-methyl-3-oxidanylidene-2-phenyl-1H-pyrazol-4-yl)imino]-2-phenyl-pyrazol-3-one
MOLECULAR FORMULA: C20H17N5O2
MOLECULAR WEIGHT: 359.38128
SMILES: CC1=C(C(=O)N(N1)C2=CC=CC=C2)N=C3C(=NN(C3=O)C4=CC=CC=C4)C
Structure:
CAS RN: 30747-27-4
CAS Name: 4,5-bis(4-methoxyanilino)cyclohexa-3,5-diene-1,2-dione
OPENEYE Name: 4,5-bis(4-methoxyanilino)-1,2-benzoquinone
IUPAC Name: 4,5-bis(4-methoxyanilino)cyclohexa-3,5-diene-1,2-dione
SYSTEMATIC NAME: 4,5-bis[(4-methoxyphenyl)amino]cyclohexa-3,5-diene-1,2-dione
MOLECULAR FORMULA: C20H18N2O4
MOLECULAR WEIGHT: 350.36792
SMILES: COC1=CC=C(C=C1)NC2=CC(=O)C(=O)C=C2NC3=CC=C(C=C3)OC
Structure:
CAS RN: 41684-38-2
CAS Name: 4,5-bis(4-methylanilino)cyclohexa-3,5-diene-1,2-dione
OPENEYE Name: 4,5-bis(4-methylanilino)-1,2-benzoquinone
IUPAC Name: 4,5-bis(4-methylanilino)cyclohexa-3,5-diene-1,2-dione
SYSTEMATIC NAME: 4,5-bis[(4-methylphenyl)amino]cyclohexa-3,5-diene-1,2-dione
MOLECULAR FORMULA: C20H18N2O2
MOLECULAR WEIGHT: 318.36912
SMILES: CC1=CC=C(C=C1)NC2=CC(=O)C(=O)C=C2NC3=CC=C(C=C3)C
Structure:
CAS RN: 6158-14-1
CAS Name: 5-(hydroxyamino)-3,4-dihydropyrrol-2-one
OPENEYE Name: 5-(hydroxyamino)-3,4-dihydropyrrol-2-one
IUPAC Name: 5-(hydroxyamino)-3,4-dihydropyrrol-2-one
SYSTEMATIC NAME: 5-(oxidanylamino)-3,4-dihydropyrrol-2-one
MOLECULAR FORMULA: C4H6N2O2
MOLECULAR WEIGHT: 114.10264
SMILES: C1CC(=O)N=C1NO
Structure:
CAS RN: 13523-75-6
CAS Name: 2-amino-5-oxo-5-(phenylhydrazo)pentanoic acid
OPENEYE Name: 2-amino-5-oxo-5-(2-phenylhydrazino)pentanoic acid
IUPAC Name: 2-amino-5-oxo-5-(2-phenylhydrazinyl)pentanoic acid
SYSTEMATIC NAME: 2-azanyl-5-oxidanylidene-5-(2-phenylhydrazinyl)pentanoic acid
MOLECULAR FORMULA: C11H15N3O3
MOLECULAR WEIGHT: 237.2551
SMILES: C1=CC=C(C=C1)NNC(=O)CCC(C(=O)O)N
Structure:
CAS RN: 30725-06-5
CAS Name: 4,5-bis(4-chloroanilino)cyclohexa-3,5-diene-1,2-dione
OPENEYE Name: 4,5-bis(4-chloroanilino)-1,2-benzoquinone
IUPAC Name: 4,5-bis(4-chloroanilino)cyclohexa-3,5-diene-1,2-dione
SYSTEMATIC NAME: 4,5-bis[(4-chlorophenyl)amino]cyclohexa-3,5-diene-1,2-dione
MOLECULAR FORMULA: C18H12Cl2N2O2
MOLECULAR WEIGHT: 359.20608
SMILES: C1=CC(=CC=C1NC2=CC(=O)C(=O)C=C2NC3=CC=C(C=C3)Cl)Cl
Structure:
CAS RN: 60713-01-1
CAS Name: 2-(tetradecylthio)butanedioic acid
OPENEYE Name: 2-tetradecylsulfanylbutanedioic acid
IUPAC Name: 2-tetradecylsulfanylbutanedioic acid
SYSTEMATIC NAME: 2-tetradecylsulfanylbutanedioic acid
MOLECULAR FORMULA: C18H34O4S
MOLECULAR WEIGHT: 346.52516
SMILES: CCCCCCCCCCCCCCSC(CC(=O)O)C(=O)O
Structure:
CAS RN: 22409-46-7
CAS Name: 9-(nitromethyl)-9,10-dihydroacridine
OPENEYE Name: 9-(nitromethyl)-9,10-dihydroacridine
IUPAC Name: 9-(nitromethyl)-9,10-dihydroacridine
SYSTEMATIC NAME: 9-(nitromethyl)-9,10-dihydroacridine
MOLECULAR FORMULA: C14H12N2O2
MOLECULAR WEIGHT: 240.25728
SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C3N2)C[N+](=O)[O-]
Structure:
CAS RN: 14045-42-2
CAS Name: 3,4-dibromo-5-(methoxymethyl)benzene-1,2-diol
OPENEYE Name: 3,4-dibromo-5-(methoxymethyl)benzene-1,2-diol
IUPAC Name: 3,4-dibromo-5-(methoxymethyl)benzene-1,2-diol
SYSTEMATIC NAME: 3,4-bis(bromanyl)-5-(methoxymethyl)benzene-1,2-diol
MOLECULAR FORMULA: C8H8Br2O3
MOLECULAR WEIGHT: 311.95532
SMILES: COCC1=CC(=C(C(=C1Br)Br)O)O
Structure:
CAS RN: 70080-77-2
CAS Name: 2-amino-6-(2-phenylethyl)-3,7-dihydropyrimido[4,5-b][1,4]oxazin-4-one
OPENEYE Name: 2-amino-6-(2-phenylethyl)-3,7-dihydropyrimido[4,5-b][1,4]oxazin-4-one
IUPAC Name: 2-amino-6-(2-phenylethyl)-3,7-dihydropyrimido[4,5-b][1,4]oxazin-4-one
SYSTEMATIC NAME: 2-azanyl-6-(2-phenylethyl)-3,7-dihydropyrimido[4,5-b][1,4]oxazin-4-one
MOLECULAR FORMULA: C14H14N4O2
MOLECULAR WEIGHT: 270.28656
SMILES: C1C(=NC2=C(O1)N=C(NC2=O)N)CCC3=CC=CC=C3
Structure:
CAS RN: 59324-42-4
CAS Name: 2'-[bis(2-chloroethyl)amino]-10,13-dimethyl-2'-oxo-3-spiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,6'-1,3,2$l^{5}-oxazaphosphorinane]ol
OPENEYE Name: 2'-[bis(2-chloroethyl)amino]-10,13-dimethyl-2'-oxo-spiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,6'-1,3,2$l^{5}-oxazaphosphinane]-3-ol
IUPAC Name: 2'-[bis(2-chloroethyl)amino]-10,13-dimethyl-2'-oxospiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,6'-1,3,2$l^{5}-oxazaphosphinane]-3-ol
SYSTEMATIC NAME: 2'-[bis(2-chloroethyl)amino]-10,13-dimethyl-2'-oxidanylidene-spiro[1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17,6'-1,3,2$l^{5}-oxazaphosphinane]-3-ol
MOLECULAR FORMULA: C25H41Cl2N2O3P
MOLECULAR WEIGHT: 519.484401
SMILES: CC12CCC(CC1=CCC3C2CCC4(C3CCC45CCNP(=O)(O5)N(CCCl)CCCl)C)O
Structure:
CAS RN: 68327-65-1
CAS Name: (4-chlorophenyl)-[5-methoxy-2-methyl-3-(2-methyl-4-nitro-1-imidazolyl)-1-indolyl]methanone
OPENEYE Name: (4-chlorophenyl)-[5-methoxy-2-methyl-3-(2-methyl-4-nitro-imidazol-1-yl)indol-1-yl]methanone
IUPAC Name: (4-chlorophenyl)-[5-methoxy-2-methyl-3-(2-methyl-4-nitroimidazol-1-yl)indol-1-yl]methanone
SYSTEMATIC NAME: (4-chlorophenyl)-[5-methoxy-2-methyl-3-(2-methyl-4-nitro-imidazol-1-yl)indol-1-yl]methanone
MOLECULAR FORMULA: C21H17ClN4O4
MOLECULAR WEIGHT: 424.83708
SMILES: CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)N4C=C(N=C4C)[N+](=O)[O-]
Structure:
CAS RN: 77547-07-0
CAS Name: 3-methylene-5-(phenylmethyl)-2-oxolanone
OPENEYE Name: 5-benzyl-3-methylene-tetrahydrofuran-2-one
IUPAC Name: 5-benzyl-3-methylideneoxolan-2-one
SYSTEMATIC NAME: 3-methylidene-5-(phenylmethyl)oxolan-2-one
MOLECULAR FORMULA: C12H12O2
MOLECULAR WEIGHT: 188.22248
SMILES: C=C1CC(OC1=O)CC2=CC=CC=C2
Structure:
CAS RN: 70660-73-0
CAS Name: hexane-1,2,3,4,5,6-hexacarboxylic acid hexamethyl ester
OPENEYE Name: hexamethyl hexane-1,2,3,4,5,6-hexacarboxylate
IUPAC Name: hexamethyl hexane-1,2,3,4,5,6-hexacarboxylate
SYSTEMATIC NAME: hexamethyl hexane-1,2,3,4,5,6-hexacarboxylate
MOLECULAR FORMULA: C18H26O12
MOLECULAR WEIGHT: 434.39184
SMILES: COC(=O)CC(C(C(C(CC(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC
Structure:
CAS RN: 10409-07-1
CAS Name: 1-methyl-4-(4-methylphenyl)sulfonylsulfonylbenzene
OPENEYE Name: 1-methyl-4-(p-tolylsulfonylsulfonyl)benzene
IUPAC Name: 1-methyl-4-(4-methylphenyl)sulfonylsulfonylbenzene
SYSTEMATIC NAME: 1-methyl-4-(4-methylphenyl)sulfonylsulfonyl-benzene
MOLECULAR FORMULA: C14H14O4S2
MOLECULAR WEIGHT: 310.38856
SMILES: CC1=CC=C(C=C1)S(=O)(=O)S(=O)(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 15115-58-9
CAS Name: 3-(2-bromophenyl)propanoic acid
OPENEYE Name: 3-(2-bromophenyl)propanoic acid
IUPAC Name: 3-(2-bromophenyl)propanoic acid
SYSTEMATIC NAME: 3-(2-bromophenyl)propanoic acid
MOLECULAR FORMULA: C9H9BrO2
MOLECULAR WEIGHT: 229.07056
SMILES: C1=CC=C(C(=C1)CCC(=O)O)Br
Structure:
CAS RN: 62443-29-2
CAS Name: 4-(1-oxododecylamino)benzoic acid ethyl ester
OPENEYE Name: ethyl 4-(dodecanoylamino)benzoate
IUPAC Name: ethyl 4-(dodecanoylamino)benzoate
SYSTEMATIC NAME: ethyl 4-(dodecanoylamino)benzoate
MOLECULAR FORMULA: C21H33NO3
MOLECULAR WEIGHT: 347.49162
SMILES: CCCCCCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)OCC
Structure:
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