CAS RN: 7504-96-3
CAS Name: 1-nitro-4-(2-nitro-2-phenylethenyl)benzene
OPENEYE Name: 1-nitro-4-(2-nitro-2-phenyl-vinyl)benzene
IUPAC Name: 1-nitro-4-(2-nitro-2-phenylethenyl)benzene
SYSTEMATIC NAME: 1-nitro-4-(2-nitro-2-phenyl-ethenyl)benzene
MOLECULAR FORMULA: C14H10N2O4
MOLECULAR WEIGHT: 270.2402
SMILES: C1=CC=C(C=C1)C(=CC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 3623-23-2
CAS Name: 1-bromo-4-nitrosobenzene
OPENEYE Name: 1-bromo-4-nitroso-benzene
IUPAC Name: 1-bromo-4-nitrosobenzene
SYSTEMATIC NAME: 1-bromanyl-4-nitroso-benzene
MOLECULAR FORMULA: C6H4BrNO
MOLECULAR WEIGHT: 186.00606
SMILES: C1=CC(=CC=C1N=O)Br
Structure:
CAS RN: 4022-94-0
CAS Name: 7H-[1,2,4]triazolo[5,1-f]purine
OPENEYE Name: 7H-[1,2,4]triazolo[5,1-f]purine
IUPAC Name: 7H-[1,2,4]triazolo[5,1-f]purine
SYSTEMATIC NAME: 7H-[1,2,4]triazolo[5,1-f]purine
MOLECULAR FORMULA: C6H4N6
MOLECULAR WEIGHT: 160.13616
SMILES: C1=NC2=C3C(=NC=N3)N=CN2N1
Structure:
CAS RN: 7504-94-1
CAS Name: 2-pyrimidinylhydrazine
OPENEYE Name: pyrimidin-2-ylhydrazine
IUPAC Name: pyrimidin-2-ylhydrazine
SYSTEMATIC NAME: pyrimidin-2-yldiazane
MOLECULAR FORMULA: C4H6N4
MOLECULAR WEIGHT: 110.11724
SMILES: C1=CN=C(N=C1)NN
Structure:
CAS RN: 7504-93-0
CAS Name: N-[[5-(benzamidomethyl)-1,4-dioxan-2-yl]methyl]benzamide
OPENEYE Name: N-[[5-(benzamidomethyl)-1,4-dioxan-2-yl]methyl]benzamide
IUPAC Name: N-[[5-(benzamidomethyl)-1,4-dioxan-2-yl]methyl]benzamide
SYSTEMATIC NAME: N-[[5-(benzamidomethyl)-1,4-dioxan-2-yl]methyl]benzamide
MOLECULAR FORMULA: C20H22N2O4
MOLECULAR WEIGHT: 354.39968
SMILES: C1C(OCC(O1)CNC(=O)C2=CC=CC=C2)CNC(=O)C3=CC=CC=C3
Structure:
CAS RN: 7598-76-7
CAS Name: tetrakis(2-thiolanyl)plumbane
OPENEYE Name: tetra(tetrahydrothiophen-2-yl)plumbane
IUPAC Name: tetrakis(thiolan-2-yl)plumbane
SYSTEMATIC NAME: tetrakis(thiolan-2-yl)plumbane
MOLECULAR FORMULA: C16H28PbS4
MOLECULAR WEIGHT: 555.85352
SMILES: C1CC(SC1)[Pb](C2CCCS2)(C3CCCS3)C4CCCS4
Structure:
CAS RN: 7504-91-8
CAS Name: 2,3-bis(4-chlorophenyl)-1,4-dioxane
OPENEYE Name: 2,3-bis(4-chlorophenyl)-1,4-dioxane
IUPAC Name: 2,3-bis(4-chlorophenyl)-1,4-dioxane
SYSTEMATIC NAME: 2,3-bis(4-chlorophenyl)-1,4-dioxane
MOLECULAR FORMULA: C16H14Cl2O2
MOLECULAR WEIGHT: 309.18716
SMILES: C1COC(C(O1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 7504-90-7
CAS Name: 2,5-dimethoxy-2,5-dimethyl-1,4-dioxane
OPENEYE Name: 2,5-dimethoxy-2,5-dimethyl-1,4-dioxane
IUPAC Name: 2,5-dimethoxy-2,5-dimethyl-1,4-dioxane
SYSTEMATIC NAME: 2,5-dimethoxy-2,5-dimethyl-1,4-dioxane
MOLECULAR FORMULA: C8H16O4
MOLECULAR WEIGHT: 176.21024
SMILES: CC1(COC(CO1)(C)OC)OC
Structure:
CAS RN: 7770-33-4
CAS Name: 2,3-dimethoxy-2,3,5,6-tetraphenyl-1,4-dioxin
OPENEYE Name: 2,3-dimethoxy-2,3,5,6-tetraphenyl-1,4-dioxine
IUPAC Name: 2,3-dimethoxy-2,3,5,6-tetraphenyl-1,4-dioxine
SYSTEMATIC NAME: 2,3-dimethoxy-2,3,5,6-tetraphenyl-1,4-dioxine
MOLECULAR FORMULA: C30H26O4
MOLECULAR WEIGHT: 450.52504
SMILES: COC1(C(OC(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)(C4=CC=CC=C4)OC)C5=CC=CC=C5
Structure:
CAS RN: 3013-48-7
CAS Name: hexanedioic acid bis[2-(4-bromophenyl)-2-oxoethyl] ester
OPENEYE Name: bis[2-(4-bromophenyl)-2-oxo-ethyl] hexanedioate
IUPAC Name: bis[2-(4-bromophenyl)-2-oxoethyl] hexanedioate
SYSTEMATIC NAME: bis[2-(4-bromophenyl)-2-oxidanylidene-ethyl] hexanedioate
MOLECULAR FORMULA: C22H20Br2O6
MOLECULAR WEIGHT: 540.1986
SMILES: C1=CC(=CC=C1C(=O)COC(=O)CCCCC(=O)OCC(=O)C2=CC=C(C=C2)Br)Br
Structure:
CAS RN: 7504-88-3
CAS Name: benzoic acid (3-benzamidophenyl) ester
OPENEYE Name: (3-benzamidophenyl) benzoate
IUPAC Name: (3-benzamidophenyl) benzoate
SYSTEMATIC NAME: (3-benzamidophenyl) benzoate
MOLECULAR FORMULA: C20H15NO3
MOLECULAR WEIGHT: 317.338
SMILES: C1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)OC(=O)C3=CC=CC=C3
Structure:
CAS RN: 7504-87-2
CAS Name: N-(1-benzoyl-2-pyridinylidene)benzamide
OPENEYE Name: N-(1-benzoyl-2-pyridylidene)benzamide
IUPAC Name: N-(1-benzoylpyridin-2-ylidene)benzamide
SYSTEMATIC NAME: N-[1-(phenylcarbonyl)pyridin-2-ylidene]benzamide
MOLECULAR FORMULA: C19H14N2O2
MOLECULAR WEIGHT: 302.32666
SMILES: C1=CC=C(C=C1)C(=O)N=C2C=CC=CN2C(=O)C3=CC=CC=C3
Structure:
CAS RN: 7504-86-1
CAS Name: N-phenylcarbamic acid decyl ester
OPENEYE Name: decyl N-phenylcarbamate
IUPAC Name: decyl N-phenylcarbamate
SYSTEMATIC NAME: decyl N-phenylcarbamate
MOLECULAR FORMULA: C17H27NO2
MOLECULAR WEIGHT: 277.40178
SMILES: CCCCCCCCCCOC(=O)NC1=CC=CC=C1
Structure:
CAS RN: 7504-85-0
CAS Name: N-(2-naphthalenyl)benzenesulfonamide
OPENEYE Name: N-(2-naphthyl)benzenesulfonamide
IUPAC Name: N-naphthalen-2-ylbenzenesulfonamide
SYSTEMATIC NAME: N-naphthalen-2-ylbenzenesulfonamide
MOLECULAR FORMULA: C16H13NO2S
MOLECULAR WEIGHT: 283.34492
SMILES: C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=CC=CC=C3C=C2
Structure:
CAS RN: 4457-24-3
CAS Name: 2-hydroxy-2-phenylacetic acid (4-nitrophenyl)methyl ester
OPENEYE Name: (4-nitrophenyl)methyl 2-hydroxy-2-phenyl-acetate
IUPAC Name: (4-nitrophenyl)methyl 2-hydroxy-2-phenylacetate
SYSTEMATIC NAME: (4-nitrophenyl)methyl 2-oxidanyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C15H13NO5
MOLECULAR WEIGHT: 287.26742
SMILES: C1=CC=C(C=C1)C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O
Structure:
CAS RN: 7461-27-0
CAS Name: N-(10-nitroso-9-anthracenyl)hydroxylamine
OPENEYE Name: N-(10-nitroso-9-anthryl)hydroxylamine
IUPAC Name: N-(10-nitrosoanthracen-9-yl)hydroxylamine
SYSTEMATIC NAME: N-(10-nitrosoanthracen-9-yl)hydroxylamine
MOLECULAR FORMULA: C14H10N2O2
MOLECULAR WEIGHT: 238.2414
SMILES: C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2N=O)NO
Structure:
CAS RN: 7461-26-9
CAS Name: N-phenylcarbamic acid hexyl ester
OPENEYE Name: hexyl N-phenylcarbamate
IUPAC Name: hexyl N-phenylcarbamate
SYSTEMATIC NAME: hexyl N-phenylcarbamate
MOLECULAR FORMULA: C13H19NO2
MOLECULAR WEIGHT: 221.29546
SMILES: CCCCCCOC(=O)NC1=CC=CC=C1
Structure:
CAS RN: 2829-26-7
CAS Name: N-[(4-chlorophenyl)methylideneamino]aniline
OPENEYE Name: N-[(4-chlorophenyl)methyleneamino]aniline
IUPAC Name: N-[(4-chlorophenyl)methylideneamino]aniline
SYSTEMATIC NAME: N-[(4-chlorophenyl)methylideneamino]aniline
MOLECULAR FORMULA: C13H11ClN2
MOLECULAR WEIGHT: 230.69284
SMILES: C1=CC=C(C=C1)NN=CC2=CC=C(C=C2)Cl
Structure:
CAS RN: 6876-50-2
CAS Name: 3-methyl-N-(4-methylphenyl)butanamide
OPENEYE Name: 3-methyl-N-(p-tolyl)butanamide
IUPAC Name: 3-methyl-N-(4-methylphenyl)butanamide
SYSTEMATIC NAME: 3-methyl-N-(4-methylphenyl)butanamide
MOLECULAR FORMULA: C12H17NO
MOLECULAR WEIGHT: 191.26948
SMILES: CC1=CC=C(C=C1)NC(=O)CC(C)C
Structure:
CAS RN: 3030-95-3
CAS Name: [(4-methylphenyl)methylideneamino]urea
OPENEYE Name: (p-tolylmethyleneamino)urea
IUPAC Name: [(4-methylphenyl)methylideneamino]urea
SYSTEMATIC NAME: 1-[(4-methylphenyl)methylideneamino]urea
MOLECULAR FORMULA: C9H11N3O
MOLECULAR WEIGHT: 177.20314
SMILES: CC1=CC=C(C=C1)C=NNC(=O)N
Structure:
CAS RN: 7461-23-6
CAS Name: carbamimidothioic acid (phenylmethyl) ester; propanoic acid
OPENEYE Name: 2-benzylisothiourea; propionic acid
IUPAC Name: benzyl carbamimidothioate; propanoic acid
SYSTEMATIC NAME: (phenylmethyl) carbamimidothioate; propanoic acid
MOLECULAR FORMULA: C11H16N2O2S
MOLECULAR WEIGHT: 240.32194
SMILES: CCC(=O)O.C1=CC=C(C=C1)CSC(=N)N
Structure:
CAS RN: 7461-22-5
CAS Name: carbamimidothioic acid (phenylmethyl) ester; 2-hydroxybenzoic acid
OPENEYE Name: 2-benzylisothiourea; 2-hydroxybenzoic acid
IUPAC Name: benzyl carbamimidothioate; 2-hydroxybenzoic acid
SYSTEMATIC NAME: 2-oxidanylbenzoic acid; (phenylmethyl) carbamimidothioate
MOLECULAR FORMULA: C15H16N2O3S
MOLECULAR WEIGHT: 304.36414
SMILES: C1=CC=C(C=C1)CSC(=N)N.C1=CC=C(C(=C1)C(=O)O)O
Structure:
CAS RN: 2788-59-2
CAS Name: carbamimidothioic acid butyl ester; 2,4,6-trinitrophenol
OPENEYE Name: 2-butylisothiourea; picric acid
IUPAC Name: butyl carbamimidothioate; 2,4,6-trinitrophenol
SYSTEMATIC NAME: butyl carbamimidothioate; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C11H15N5O7S
MOLECULAR WEIGHT: 361.3311
SMILES: CCCCSC(=N)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 1152-90-5
CAS Name: pyridine; 2,4,6-trinitrophenol
OPENEYE Name: picric acid; pyridine
IUPAC Name: pyridine; 2,4,6-trinitrophenol
SYSTEMATIC NAME: pyridine; 2,4,6-trinitrophenol
MOLECULAR FORMULA: C11H8N4O7
MOLECULAR WEIGHT: 308.20382
SMILES: C1=CC=NC=C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 7461-20-3
CAS Name: N-[4-[(2-nitrophenyl)sulfamoyl]phenyl]acetamide
OPENEYE Name: N-[4-[(2-nitrophenyl)sulfamoyl]phenyl]acetamide
IUPAC Name: N-[4-[(2-nitrophenyl)sulfamoyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(2-nitrophenyl)sulfamoyl]phenyl]ethanamide
MOLECULAR FORMULA: C14H13N3O5S
MOLECULAR WEIGHT: 335.33512
SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2[N+](=O)[O-]
Structure:
CAS RN: 7461-19-0
CAS Name: 1-bromohexatriacontane
OPENEYE Name: 1-bromohexatriacontane
IUPAC Name: 1-bromohexatriacontane
SYSTEMATIC NAME: 1-bromanylhexatriacontane
MOLECULAR FORMULA: C36H73Br
MOLECULAR WEIGHT: 585.86882
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr
Structure:
CAS RN: 4276-51-1
CAS Name: 1-bromohexacosane
OPENEYE Name: 1-bromohexacosane
IUPAC Name: 1-bromohexacosane
SYSTEMATIC NAME: 1-bromanylhexacosane
MOLECULAR FORMULA: C26H53Br
MOLECULAR WEIGHT: 445.60302
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCBr
Structure:
CAS RN: 7596-92-1
CAS Name: 1-bromodotriacontane
OPENEYE Name: 1-bromodotriacontane
IUPAC Name: 1-bromodotriacontane
SYSTEMATIC NAME: 1-bromanyldotriacontane
MOLECULAR FORMULA: C32H65Br
MOLECULAR WEIGHT: 529.7625
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr
Structure:
CAS RN: 7461-18-9
CAS Name: 2-hydroxybenzoic 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-hydroxybenzoate
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-hydroxybenzoate
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-oxidanylbenzoate
MOLECULAR FORMULA: C34H50O3
MOLECULAR WEIGHT: 506.759
SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=CC=C5O)C)C
Structure:
CAS RN: 7461-17-8
CAS Name: N-phenylcarbamic acid (7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl) ester
OPENEYE Name: (7-methyltetralin-1-yl) N-phenylcarbamate
IUPAC Name: (7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl) N-phenylcarbamate
SYSTEMATIC NAME: (7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl) N-phenylcarbamate
MOLECULAR FORMULA: C18H19NO2
MOLECULAR WEIGHT: 281.34896
SMILES: CC1=CC2=C(CCCC2OC(=O)NC3=CC=CC=C3)C=C1
Structure:
CAS RN: 7461-16-7
CAS Name: N-(2,2-dimethylbutyl)-2,4,6-trinitroaniline
OPENEYE Name: N-(2,2-dimethylbutyl)-2,4,6-trinitro-aniline
IUPAC Name: N-(2,2-dimethylbutyl)-2,4,6-trinitroaniline
SYSTEMATIC NAME: N-(2,2-dimethylbutyl)-2,4,6-trinitro-aniline
MOLECULAR FORMULA: C12H16N4O6
MOLECULAR WEIGHT: 312.27864
SMILES: CCC(C)(C)CNC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 7461-15-6
CAS Name: N-[1-(4-chloro-2-nitrophenyl)ethylideneamino]-2,4-dinitroaniline
OPENEYE Name: N-[1-(4-chloro-2-nitro-phenyl)ethylideneamino]-2,4-dinitro-aniline
IUPAC Name: N-[1-(4-chloro-2-nitrophenyl)ethylideneamino]-2,4-dinitroaniline
SYSTEMATIC NAME: N-[1-(4-chloranyl-2-nitro-phenyl)ethylideneamino]-2,4-dinitro-aniline
MOLECULAR FORMULA: C14H10ClN5O6
MOLECULAR WEIGHT: 379.7121
SMILES: CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C=C2)Cl)[N+](=O)[O-]
Structure:
CAS RN: 7508-76-1
CAS Name: quinoline-2,8-diamine
OPENEYE Name: quinoline-2,8-diamine
IUPAC Name: quinoline-2,8-diamine
SYSTEMATIC NAME: quinoline-2,8-diamine
MOLECULAR FORMULA: C9H9N3
MOLECULAR WEIGHT: 159.18786
SMILES: C1=CC2=C(C(=C1)N)N=C(C=C2)N
Structure:
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