CAS RN: 15723-90-7
CAS Name: 4-nitrobenzenecarboximidamide hydrochloride
OPENEYE Name: 4-nitrobenzamidine hydrochloride
IUPAC Name: 4-nitrobenzenecarboximidamide hydrochloride
SYSTEMATIC NAME: 4-nitrobenzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C7H8ClN3O2
MOLECULAR WEIGHT: 201.61032
SMILES: C1=CC(=CC=C1C(=N)N)[N+](=O)[O-].Cl
Structure:
CAS RN: 42249-49-0
CAS Name: 4-nitrobenzenecarboximidamide hydrochloride
OPENEYE Name: 4-nitrobenzamidine hydrochloride
IUPAC Name: 4-nitrobenzenecarboximidamide hydrochloride
SYSTEMATIC NAME: 4-nitrobenzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C7H8ClN3O2
MOLECULAR WEIGHT: 201.61032
SMILES: C1=CC(=CC=C1C(=N)N)[N+](=O)[O-].Cl
Structure:
CAS RN: 42234-04-8
CAS Name: dodecanedioic acid dihexadecyl ester
OPENEYE Name: dihexadecyl dodecanedioate
IUPAC Name: dihexadecyl dodecanedioate
SYSTEMATIC NAME: dihexadecyl dodecanedioate
MOLECULAR FORMULA: C44H86O4
MOLECULAR WEIGHT: 679.15124
SMILES: CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC
Structure:
CAS RN: 42231-99-2
CAS Name: tetradecanoic acid hexyl ester
OPENEYE Name: hexyl tetradecanoate
IUPAC Name: hexyl tetradecanoate
SYSTEMATIC NAME: hexyl tetradecanoate
MOLECULAR FORMULA: C20H40O2
MOLECULAR WEIGHT: 312.5304
SMILES: CCCCCCCCCCCCCC(=O)OCCCCCC
Structure:
CAS RN: 42228-65-9
CAS Name: 3-(5-acetamido-N-ethyl-2-methoxyanilino)propanoic acid 2-methoxyethyl ester
OPENEYE Name: 2-methoxyethyl 3-(5-acetamido-N-ethyl-2-methoxy-anilino)propanoate
IUPAC Name: 2-methoxyethyl 3-(5-acetamido-N-ethyl-2-methoxyanilino)propanoate
SYSTEMATIC NAME: 2-methoxyethyl 3-[(5-acetamido-2-methoxy-phenyl)-ethyl-amino]propanoate
MOLECULAR FORMULA: C17H26N2O5
MOLECULAR WEIGHT: 338.39874
SMILES: CCN(CCC(=O)OCCOC)C1=C(C=CC(=C1)NC(=O)C)OC
Structure:
CAS RN: 42228-32-0
CAS Name: 6'-(N-ethyl-4-methylanilino)-2'-methyl-1-spiro[isobenzofuran-3,9'-xanthene]one
OPENEYE Name: 6'-(N-ethyl-4-methyl-anilino)-2'-methyl-spiro[isobenzofuran-3,9'-xanthene]-1-one
IUPAC Name: 6'-(N-ethyl-4-methylanilino)-2'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
SYSTEMATIC NAME: 6'-[ethyl-(4-methylphenyl)amino]-2'-methyl-spiro[2-benzofuran-3,9'-xanthene]-1-one
MOLECULAR FORMULA: C30H25NO3
MOLECULAR WEIGHT: 447.5244
SMILES: CCN(C1=CC=C(C=C1)C)C2=CC3=C(C=C2)C4(C5=CC=CC=C5C(=O)O4)C6=C(O3)C=CC(=C6)C
Structure:
CAS RN: 42228-16-0
CAS Name: 4-(dimethoxymethyl)benzoic acid methyl ester
OPENEYE Name: methyl 4-(dimethoxymethyl)benzoate
IUPAC Name: methyl 4-(dimethoxymethyl)benzoate
SYSTEMATIC NAME: methyl 4-(dimethoxymethyl)benzoate
MOLECULAR FORMULA: C11H14O4
MOLECULAR WEIGHT: 210.22646
SMILES: COC(C1=CC=C(C=C1)C(=O)OC)OC
Structure:
CAS RN: 42217-97-0
CAS Name: cadmium; carbanide
OPENEYE Name: cadmium; carbanide
IUPAC Name: cadmium; carbanide
SYSTEMATIC NAME: cadmium; carbanide
MOLECULAR FORMULA: CH3Cd-
MOLECULAR WEIGHT: 127.44552
SMILES: [CH3-].[Cd]
Structure:
CAS RN: 42208-55-9
CAS Name: N-(hydroxymethyl)-2-propenamide; 2-methyl-2-propenoic acid; 2-propenenitrile; 2-propenoic acid ethyl ester
OPENEYE Name: ethyl prop-2-enoate; N-(hydroxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; prop-2-enenitrile
IUPAC Name: ethyl prop-2-enoate; N-(hydroxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; prop-2-enenitrile
SYSTEMATIC NAME: ethyl prop-2-enoate; N-(hydroxymethyl)prop-2-enamide; 2-methylprop-2-enoic acid; prop-2-enenitrile
MOLECULAR FORMULA: C16H24N2O6
MOLECULAR WEIGHT: 340.37156
SMILES: CCOC(=O)C=C.CC(=C)C(=O)O.C=CC#N.C=CC(=O)NCO
Structure:
CAS RN: 42203-78-1
CAS Name: 1-(4-iodo-2,5-dimethoxyphenyl)-2-propanamine hydrochloride
OPENEYE Name: 1-(4-iodo-2,5-dimethoxy-phenyl)propan-2-amine hydrochloride
IUPAC Name: 1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine hydrochloride
SYSTEMATIC NAME: 1-(4-iodanyl-2,5-dimethoxy-phenyl)propan-2-amine hydrochloride
MOLECULAR FORMULA: C11H17ClINO2
MOLECULAR WEIGHT: 357.61565
SMILES: CC(CC1=CC(=C(C=C1OC)I)OC)N.Cl
Structure:
CAS RN: 82830-44-2
CAS Name: 1-(4-iodo-2,5-dimethoxyphenyl)-2-propanamine hydrochloride
OPENEYE Name: 1-(4-iodo-2,5-dimethoxy-phenyl)propan-2-amine hydrochloride
IUPAC Name: 1-(4-iodo-2,5-dimethoxyphenyl)propan-2-amine hydrochloride
SYSTEMATIC NAME: 1-(4-iodanyl-2,5-dimethoxy-phenyl)propan-2-amine hydrochloride
MOLECULAR FORMULA: C11H17ClINO2
MOLECULAR WEIGHT: 357.61565
SMILES: CC(CC1=CC(=C(C=C1OC)I)OC)N.Cl
Structure:
CAS RN: 42190-83-0
CAS Name: 1-(phenylmethyl)imidazole-4,5-dicarboxylic acid
OPENEYE Name: 1-benzylimidazole-4,5-dicarboxylic acid
IUPAC Name: 1-benzylimidazole-4,5-dicarboxylic acid
SYSTEMATIC NAME: 1-(phenylmethyl)imidazole-4,5-dicarboxylic acid
MOLECULAR FORMULA: C12H10N2O4
MOLECULAR WEIGHT: 246.2188
SMILES: C1=CC=C(C=C1)CN2C=NC(=C2C(=O)O)C(=O)O
Structure:
CAS RN: 42186-33-4
CAS Name: 2-(3-oxo-2-propylcyclopentyl)acetic acid methyl ester
OPENEYE Name: methyl 2-(3-oxo-2-propyl-cyclopentyl)acetate
IUPAC Name: methyl 2-(3-oxo-2-propylcyclopentyl)acetate
SYSTEMATIC NAME: methyl 2-(3-oxidanylidene-2-propyl-cyclopentyl)ethanoate
MOLECULAR FORMULA: C11H18O3
MOLECULAR WEIGHT: 198.25882
SMILES: CCCC1C(CCC1=O)CC(=O)OC
Structure:
CAS RN: 42170-25-2
CAS Name: 1,1-bis(isocyanatomethyl)cyclohexane
OPENEYE Name: 1,1-bis(isocyanatomethyl)cyclohexane
IUPAC Name: 1,1-bis(isocyanatomethyl)cyclohexane
SYSTEMATIC NAME: 1,1-bis(isocyanatomethyl)cyclohexane
MOLECULAR FORMULA: C10H14N2O2
MOLECULAR WEIGHT: 194.23036
SMILES: C1CCC(CC1)(CN=C=O)CN=C=O
Structure:
CAS RN: 42155-95-3
CAS Name: (2S)-1-[(2S)-2-amino-3-carboxy-1-oxopropyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-2-amino-3-carboxy-propanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C9H14N2O5
MOLECULAR WEIGHT: 230.21786
SMILES: C1C[C@H](N(C1)C(=O)[C@H](CC(=O)O)N)C(=O)O
Structure:
CAS RN: 42137-91-7
CAS Name: 1-[4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-4-piperidinyl]-1-propanone
OPENEYE Name: 1-[4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-4-piperidyl]propan-1-one
IUPAC Name: 1-[4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]piperidin-4-yl]propan-1-one
SYSTEMATIC NAME: 1-[4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]piperidin-4-yl]propan-1-one
MOLECULAR FORMULA: C19H29ClN2O
MOLECULAR WEIGHT: 336.89936
SMILES: CCC(=O)C1(CCN(CC1)CCCN(C)C)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 42136-31-2
CAS Name: phosphoric acid [2,2-dibromo-1-(2,4-dichlorophenyl)ethenyl] diethyl ester
OPENEYE Name: [2,2-dibromo-1-(2,4-dichlorophenyl)vinyl] diethyl phosphate
IUPAC Name: [2,2-dibromo-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate
SYSTEMATIC NAME: [2,2-bis(bromanyl)-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate
MOLECULAR FORMULA: C12H13Br2Cl2O4P
MOLECULAR WEIGHT: 482.916981
SMILES: CCOP(=O)(OCC)OC(=C(Br)Br)C1=C(C=C(C=C1)Cl)Cl
Structure:
CAS RN: 42131-42-0
CAS Name: octanoic acid 2-hydroxyethyl ester
OPENEYE Name: 2-hydroxyethyl octanoate
IUPAC Name: 2-hydroxyethyl octanoate
SYSTEMATIC NAME: 2-hydroxyethyl octanoate
MOLECULAR FORMULA: C10H20O3
MOLECULAR WEIGHT: 188.264
SMILES: CCCCCCCC(=O)OCCO
Structure:
CAS RN: 4219-47-0
CAS Name: octanoic acid 2-hydroxyethyl ester
OPENEYE Name: 2-hydroxyethyl octanoate
IUPAC Name: 2-hydroxyethyl octanoate
SYSTEMATIC NAME: 2-hydroxyethyl octanoate
MOLECULAR FORMULA: C10H20O3
MOLECULAR WEIGHT: 188.264
SMILES: CCCCCCCC(=O)OCCO
Structure:
CAS RN: 42125-46-2
CAS Name: carbonochloridic acid (4-tert-butylcyclohexyl) ester
OPENEYE Name: (4-tert-butylcyclohexyl) carbonochloridate
IUPAC Name: (4-tert-butylcyclohexyl) carbonochloridate
SYSTEMATIC NAME: (4-tert-butylcyclohexyl) carbonochloridate
MOLECULAR FORMULA: C11H19ClO2
MOLECULAR WEIGHT: 218.72036
SMILES: CC(C)(C)C1CCC(CC1)OC(=O)Cl
Structure:
CAS RN: 42105-98-6
CAS Name: 3-(methylamino)-3-oxopropanoic acid
OPENEYE Name: 3-(methylamino)-3-oxo-propanoic acid
IUPAC Name: 3-(methylamino)-3-oxopropanoic acid
SYSTEMATIC NAME: 3-(methylamino)-3-oxidanylidene-propanoic acid
MOLECULAR FORMULA: C4H7NO3
MOLECULAR WEIGHT: 117.10328
SMILES: CNC(=O)CC(=O)O
Structure:
CAS RN: 42072-27-5
CAS Name: N-dimethoxyphosphinothioylacetamide
OPENEYE Name: N-dimethoxyphosphinothioylacetamide
IUPAC Name: N-dimethoxyphosphinothioylacetamide
SYSTEMATIC NAME: N-dimethoxyphosphinothioylethanamide
MOLECULAR FORMULA: C4H10NO3PS
MOLECULAR WEIGHT: 183.165861
SMILES: CC(=O)NP(=S)(OC)OC
Structure:
CAS RN: 42069-01-2
CAS Name: chloro-ethoxy-(propylthio)-sulfanylidenephosphorane
OPENEYE Name: chloro-ethoxy-propylsulfanyl-thioxo-$l^{5}-phosphane
IUPAC Name: chloro-ethoxy-propylsulfanyl-sulfanylidene-$l^{5}-phosphane
SYSTEMATIC NAME: chloranyl-ethoxy-propylsulfanyl-sulfanylidene-$l^{5}-phosphane
MOLECULAR FORMULA: C5H12ClOPS2
MOLECULAR WEIGHT: 218.704941
SMILES: CCCSP(=S)(OCC)Cl
Structure:
CAS RN: 42068-70-2
CAS Name: carbonochloridic acid 2-methylprop-2-enyl ester
OPENEYE Name: 2-methylallyl carbonochloridate
IUPAC Name: 2-methylprop-2-enyl carbonochloridate
SYSTEMATIC NAME: 2-methylprop-2-enyl carbonochloridate
MOLECULAR FORMULA: C5H7ClO2
MOLECULAR WEIGHT: 134.56088
SMILES: CC(=C)COC(=O)Cl
Structure:
CAS RN: 42061-53-0
CAS Name: N-[bis(1-aziridinyl)phosphoryl]-2-chloro-7-methyl-6-purinamine
OPENEYE Name: N-[bis(aziridin-1-yl)phosphoryl]-2-chloro-7-methyl-purin-6-amine
IUPAC Name: N-[bis(aziridin-1-yl)phosphoryl]-2-chloro-7-methylpurin-6-amine
SYSTEMATIC NAME: N-[bis(aziridin-1-yl)phosphoryl]-2-chloranyl-7-methyl-purin-6-amine
MOLECULAR FORMULA: C10H13ClN7OP
MOLECULAR WEIGHT: 313.683281
SMILES: CN1C=NC2=C1C(=NC(=N2)Cl)NP(=O)(N3CC3)N4CC4
Structure:
CAS RN: 42021-23-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H26N4
MOLECULAR WEIGHT: 382.50074
SMILES: C1CN2CC3=C(CC2CN1CCC4=NC5=CC=CC=C5C=C4)C6=CC=CC=C6N3
Structure:
CAS RN: 41994-80-3
CAS Name: 4-hydroxy-4-methyl-2-pentanolate; titanium
OPENEYE Name: 4-hydroxy-4-methyl-pentan-2-olate; titanium
IUPAC Name: 4-hydroxy-4-methylpentan-2-olate; titanium
SYSTEMATIC NAME: 4-methyl-4-oxidanyl-pentan-2-olate; titanium
MOLECULAR FORMULA: C6H13O2Ti-
MOLECULAR WEIGHT: 165.03322
SMILES: CC(CC(C)(C)O)[O-].[Ti]
Structure:
CAS RN: 16856-16-9
CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-hydroxybutanedioic acid
OPENEYE Name: (2S)-2-amino-5-guanidino-pentanoic acid; 2-hydroxybutanedioic acid
IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-hydroxybutanedioic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-oxidanylbutanedioic acid
MOLECULAR FORMULA: C10H20N4O7
MOLECULAR WEIGHT: 308.2884
SMILES: C(C[C@@H](C(=O)O)N)CN=C(N)N.C(C(C(=O)O)O)C(=O)O
Structure:
CAS RN: 41989-03-1
CAS Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-hydroxybutanedioic acid
OPENEYE Name: (2S)-2-amino-5-guanidino-pentanoic acid; 2-hydroxybutanedioic acid
IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-hydroxybutanedioic acid
SYSTEMATIC NAME: (2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-oxidanylbutanedioic acid
MOLECULAR FORMULA: C10H20N4O7
MOLECULAR WEIGHT: 308.2884
SMILES: C(C[C@@H](C(=O)O)N)CN=C(N)N.C(C(C(=O)O)O)C(=O)O
Structure:
CAS RN: 41973-82-4
CAS Name: trisodium 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-5-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]benzene-1,4-disulfonate
OPENEYE Name: trisodium 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-5-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]azo]benzene-1,4-disulfonate
IUPAC Name: trisodium 2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-5-[[3-methyl-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzene-1,4-disulfonate
SYSTEMATIC NAME: trisodium 2-[(4-chloranyl-6-methoxy-1,3,5-triazin-2-yl)amino]-5-[[3-methyl-5-oxidanylidene-1-(4-sulfonatophenyl)-4H-pyrazol-4-yl]diazenyl]benzene-1,4-disulfonate
MOLECULAR FORMULA: C20H14ClN8Na3O11S3
MOLECULAR WEIGHT: 742.98947
SMILES: CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2S(=O)(=O)[O-])NC3=NC(=NC(=N3)Cl)OC)S(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-].[Na+].[Na+].[Na+]
Structure:
CAS RN: 41961-56-2
CAS Name: (2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxy-1-oxobutyl]amino]-1-oxohexyl]-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-[(2S)-6-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-[(2S)-6-azanyl-2-[[(2S,3R)-2-azanyl-3-oxidanyl-butanoyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C15H28N4O5
MOLECULAR WEIGHT: 344.40662
SMILES: C[C@H]([C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O)N)O
Structure:
CAS RN: 41945-17-9
CAS Name: disodium 3,3-bis[(sulfonatothio)methyl]oxetane
OPENEYE Name: disodium 3,3-bis(sulfonatosulfanylmethyl)oxetane
IUPAC Name: disodium 3,3-bis(sulfonatosulfanylmethyl)oxetane
SYSTEMATIC NAME: disodium 3,3-bis(sulfonatosulfanylmethyl)oxetane
MOLECULAR FORMULA: C5H8Na2O7S4
MOLECULAR WEIGHT: 354.35236
SMILES: C1C(CO1)(CSS(=O)(=O)[O-])CSS(=O)(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 41945-15-7
CAS Name: 2-[[5-[2-(diethylamino)ethoxymethyl]-2,2-dimethyl-1,3-dithian-5-yl]methoxy]-N,N-diethylethanamine dihydrochloride
OPENEYE Name: 2-[[5-[2-(diethylamino)ethoxymethyl]-2,2-dimethyl-1,3-dithian-5-yl]methoxy]-N,N-diethyl-ethanamine dihydrochloride
IUPAC Name: 2-[[5-[2-(diethylamino)ethoxymethyl]-2,2-dimethyl-1,3-dithian-5-yl]methoxy]-N,N-diethylethanamine dihydrochloride
SYSTEMATIC NAME: 2-[[5-[2-(diethylamino)ethoxymethyl]-2,2-dimethyl-1,3-dithian-5-yl]methoxy]-N,N-diethyl-ethanamine dihydrochloride
MOLECULAR FORMULA: C20H44Cl2N2O2S2
MOLECULAR WEIGHT: 479.61156
SMILES: CCN(CC)CCOCC1(CSC(SC1)(C)C)COCCN(CC)CC.Cl.Cl
Structure:
No comments:
Post a Comment