CAS RN: 10126-68-8
CAS Name: (4Z)-4-heptadecylidene-3-hexadecyl-2-oxetanone
OPENEYE Name: (4Z)-4-heptadecylidene-3-hexadecyl-oxetan-2-one
IUPAC Name: (4Z)-4-heptadecylidene-3-hexadecyloxetan-2-one
SYSTEMATIC NAME: (4Z)-4-heptadecylidene-3-hexadecyl-oxetan-2-one
MOLECULAR FORMULA: C36H68O2
MOLECULAR WEIGHT: 532.92392
SMILES: CCCCCCCCCCCCCCCC/C=C\1/C(C(=O)O1)CCCCCCCCCCCCCCCC
Structure:
CAS RN: 83285-28-3
CAS Name: (Z)-3-(benzenesulfonyl)-2-chloro-2-propenenitrile
OPENEYE Name: (Z)-3-(benzenesulfonyl)-2-chloro-prop-2-enenitrile
IUPAC Name: (Z)-3-(benzenesulfonyl)-2-chloroprop-2-enenitrile
SYSTEMATIC NAME: (Z)-2-chloranyl-3-(phenylsulfonyl)prop-2-enenitrile
MOLECULAR FORMULA: C9H6ClNO2S
MOLECULAR WEIGHT: 227.66744
SMILES: C1=CC=C(C=C1)S(=O)(=O)/C=C(/C#N)\Cl
Structure:
CAS RN: 56671-28-4
CAS Name: 1-[(E)-2-[bis(1-aziridinyl)phosphoryl]ethenyl]-3-(4-iodophenyl)urea
OPENEYE Name: 1-[(E)-2-[bis(aziridin-1-yl)phosphoryl]vinyl]-3-(4-iodophenyl)urea
IUPAC Name: 1-[(E)-2-[bis(aziridin-1-yl)phosphoryl]ethenyl]-3-(4-iodophenyl)urea
SYSTEMATIC NAME: 1-[(E)-2-[bis(aziridin-1-yl)phosphoryl]ethenyl]-3-(4-iodophenyl)urea
MOLECULAR FORMULA: C13H16IN4O2P
MOLECULAR WEIGHT: 418.169971
SMILES: C1CN1P(=O)(/C=C/NC(=O)NC2=CC=C(C=C2)I)N3CC3
Structure:
CAS RN: 213594-60-6
CAS Name: disodium (3Z)-3-[[4-[(2-carboxylatoethylamino)-oxomethyl]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylate
OPENEYE Name: disodium (3Z)-3-[[4-(2-carboxylatoethylcarbamoyl)phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylate
IUPAC Name: disodium (3Z)-3-[[4-(2-carboxylatoethylcarbamoyl)phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate
SYSTEMATIC NAME: disodium (3Z)-3-[[4-[(3-oxidanidyl-3-oxidanylidene-propyl)carbamoyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate
MOLECULAR FORMULA: C17H13N3Na2O6
MOLECULAR WEIGHT: 401.28116
SMILES: C1=CC(=CC=C1C(=O)NCCC(=O)[O-])N/N=C\2/C=CC(=O)C(=C2)C(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 82101-18-6
CAS Name: disodium (3Z)-3-[[4-[(2-carboxylatoethylamino)-oxomethyl]phenyl]hydrazinylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxylate
OPENEYE Name: disodium (3Z)-3-[[4-(2-carboxylatoethylcarbamoyl)phenyl]hydrazono]-6-oxo-cyclohexa-1,4-diene-1-carboxylate
IUPAC Name: disodium (3Z)-3-[[4-(2-carboxylatoethylcarbamoyl)phenyl]hydrazinylidene]-6-oxocyclohexa-1,4-diene-1-carboxylate
SYSTEMATIC NAME: disodium (3Z)-3-[[4-[(3-oxidanidyl-3-oxidanylidene-propyl)carbamoyl]phenyl]hydrazinylidene]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylate
MOLECULAR FORMULA: C17H13N3Na2O6
MOLECULAR WEIGHT: 401.28116
SMILES: C1=CC(=CC=C1C(=O)NCCC(=O)[O-])N/N=C\2/C=CC(=O)C(=C2)C(=O)[O-].[Na+].[Na+]
Structure:
CAS RN: 67990-35-6
CAS Name: calcium 5-chloro-4-methyl-2-[(2E)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]benzenesulfonate
OPENEYE Name: calcium 5-chloro-4-methyl-2-[(2E)-2-(2-oxo-1-naphthylidene)hydrazino]benzenesulfonate
IUPAC Name: calcium 5-chloro-4-methyl-2-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate
SYSTEMATIC NAME: calcium 5-chloranyl-4-methyl-2-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate
MOLECULAR FORMULA: C34H24CaCl2N4O8S2
MOLECULAR WEIGHT: 791.69036
SMILES: CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N/N=C/2\C3=CC=CC=C3C=CC2=O.CC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N/N=C/2\C3=CC=CC=C3C=CC2=O.[Ca+2]
Structure:
CAS RN: 67801-01-8
CAS Name: barium(2+); 5-chloro-4-ethyl-2-[(2E)-2-(2-oxo-1-naphthalenylidene)hydrazinyl]benzenesulfonate
OPENEYE Name: barium(2+); 5-chloro-4-ethyl-2-[(2E)-2-(2-oxo-1-naphthylidene)hydrazino]benzenesulfonate
IUPAC Name: barium(2+); 5-chloro-4-ethyl-2-[(2E)-2-(2-oxonaphthalen-1-ylidene)hydrazinyl]benzenesulfonate
SYSTEMATIC NAME: barium(2+); 5-chloranyl-4-ethyl-2-[(2E)-2-(2-oxidanylidenenaphthalen-1-ylidene)hydrazinyl]benzenesulfonate
MOLECULAR FORMULA: C36H28BaCl2N4O8S2
MOLECULAR WEIGHT: 916.99252
SMILES: CCC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N/N=C/2\C3=CC=CC=C3C=CC2=O.CCC1=CC(=C(C=C1Cl)S(=O)(=O)[O-])N/N=C/2\C3=CC=CC=C3C=CC2=O.[Ba+2]
Structure:
CAS RN: 67410-46-2
CAS Name: (2E)-2-(4-chlorophenyl)-2-[ethoxy(methylamino)phosphoryl]oxyiminoacetonitrile
OPENEYE Name: (1E)-4-chloro-N-[ethoxy(methylamino)phosphoryl]oxy-benzimidoyl cyanide
IUPAC Name: (1E)-4-chloro-N-[ethoxy(methylamino)phosphoryl]oxybenzenecarboximidoyl cyanide
SYSTEMATIC NAME: (2E)-2-(4-chlorophenyl)-2-[ethoxy(methylamino)phosphoryl]oxyimino-ethanenitrile
MOLECULAR FORMULA: C11H13ClN3O3P
MOLECULAR WEIGHT: 301.665981
SMILES: CCOP(=O)(NC)O/N=C(/C#N)\C1=CC=C(C=C1)Cl
Structure:
CAS RN: 67410-45-1
CAS Name: (2E)-2-[dimethylamino(ethoxy)phosphoryl]oxyimino-2-phenylacetonitrile
OPENEYE Name: (E)-N-[dimethylamino(ethoxy)phosphoryl]oxybenzimidoyl cyanide
IUPAC Name: (E)-N-[dimethylamino(ethoxy)phosphoryl]oxybenzenecarboximidoyl cyanide
SYSTEMATIC NAME: (2E)-2-[dimethylamino(ethoxy)phosphoryl]oxyimino-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C12H16N3O3P
MOLECULAR WEIGHT: 281.247501
SMILES: CCOP(=O)(N(C)C)O/N=C(/C#N)\C1=CC=CC=C1
Structure:
CAS RN: 32540-03-7
CAS Name: (4E)-4-(4-methyl-1-cyclohex-3-enylidene)pentanal
OPENEYE Name: (4E)-4-(4-methylcyclohex-3-en-1-ylidene)pentanal
IUPAC Name: (4E)-4-(4-methylcyclohex-3-en-1-ylidene)pentanal
SYSTEMATIC NAME: (4E)-4-(4-methylcyclohex-3-en-1-ylidene)pentanal
MOLECULAR FORMULA: C12H18O
MOLECULAR WEIGHT: 178.27072
SMILES: CC1=CC/C(=C(\C)/CCC=O)/CC1
Structure:
CAS RN: 108021-88-1
CAS Name: (6Z)-6-[(2-nitrophenyl)hydrazinylidene]-4-(2,4,4-trimethylpentan-2-yl)-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[(2-nitrophenyl)hydrazono]-4-(1,1,3,3-tetramethylbutyl)cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[(2-nitrophenyl)hydrazinylidene]-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[(2-nitrophenyl)hydrazinylidene]-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C20H25N3O3
MOLECULAR WEIGHT: 355.4308
SMILES: CC(C)(C)CC(C)(C)C1=C/C(=N/NC2=CC=CC=C2[N+](=O)[O-])/C(=O)C=C1
Structure:
CAS RN: 51656-57-6
CAS Name: (6Z)-6-[(2-nitrophenyl)hydrazinylidene]-4-(2,4,4-trimethylpentan-2-yl)-1-cyclohexa-2,4-dienone
OPENEYE Name: (6Z)-6-[(2-nitrophenyl)hydrazono]-4-(1,1,3,3-tetramethylbutyl)cyclohexa-2,4-dien-1-one
IUPAC Name: (6Z)-6-[(2-nitrophenyl)hydrazinylidene]-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: (6Z)-6-[(2-nitrophenyl)hydrazinylidene]-4-(2,4,4-trimethylpentan-2-yl)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C20H25N3O3
MOLECULAR WEIGHT: 355.4308
SMILES: CC(C)(C)CC(C)(C)C1=C/C(=N/NC2=CC=CC=C2[N+](=O)[O-])/C(=O)C=C1
Structure:
CAS RN: 538-45-4
CAS Name: 2-[(E)-3-methoxyprop-2-enylidene]propanedinitrile
OPENEYE Name: 2-[(E)-3-methoxyprop-2-enylidene]propanedinitrile
IUPAC Name: 2-[(E)-3-methoxyprop-2-enylidene]propanedinitrile
SYSTEMATIC NAME: 2-[(E)-3-methoxyprop-2-enylidene]propanedinitrile
MOLECULAR FORMULA: C7H6N2O
MOLECULAR WEIGHT: 134.13534
SMILES: CO/C=C/C=C(C#N)C#N
Structure:
CAS RN: 1631-67-0
CAS Name: N-methylcarbamic acid [(E)-(5-methyl-1,3-oxathiolan-2-ylidene)amino] ester
OPENEYE Name: [(E)-(5-methyl-1,3-oxathiolan-2-ylidene)amino] N-methylcarbamate
IUPAC Name: [(E)-(5-methyl-1,3-oxathiolan-2-ylidene)amino] N-methylcarbamate
SYSTEMATIC NAME: [(E)-(5-methyl-1,3-oxathiolan-2-ylidene)amino] N-methylcarbamate
MOLECULAR FORMULA: C6H10N2O3S
MOLECULAR WEIGHT: 190.2202
SMILES: CC1CS/C(=N/OC(=O)NC)/O1
Structure:
CAS RN: 3419-18-9
CAS Name: (1Z)-4-aminobenzaldehyde oxime
OPENEYE Name: (1Z)-4-aminobenzaldehyde oxime
IUPAC Name: (NZ)-N-[(4-aminophenyl)methylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(4-aminophenyl)methylidene]hydroxylamine
MOLECULAR FORMULA: C7H8N2O
MOLECULAR WEIGHT: 136.15122
SMILES: C1=CC(=CC=C1/C=N\O)N
Structure:
CAS RN: 134599-45-4
CAS Name: 4-[2-(4-morpholinyl)ethoxy]benzoic acid
OPENEYE Name: 4-(2-morpholinoethoxy)benzoic acid
IUPAC Name: 4-(2-morpholin-4-ylethoxy)benzoic acid
SYSTEMATIC NAME: 4-(2-morpholin-4-ylethoxy)benzoic acid
MOLECULAR FORMULA: C13H17NO4
MOLECULAR WEIGHT: 251.27838
SMILES: C1COCCN1CCOC2=CC=C(C=C2)C(=O)O
Structure:
CAS RN: 215453-51-3
CAS Name: 7-bromo-1-chloroisoquinoline
OPENEYE Name: 7-bromo-1-chloro-isoquinoline
IUPAC Name: 7-bromo-1-chloroisoquinoline
SYSTEMATIC NAME: 7-bromanyl-1-chloranyl-isoquinoline
MOLECULAR FORMULA: C9H5BrClN
MOLECULAR WEIGHT: 242.4997
SMILES: C1=CC(=CC2=C1C=CN=C2Cl)Br
Structure:
CAS RN: 330796-48-0
CAS Name: 4-(4-methyl-1-piperazinyl)-3-(trifluoromethyl)aniline
OPENEYE Name: 4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)aniline
IUPAC Name: 4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)aniline
SYSTEMATIC NAME: 4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)aniline
MOLECULAR FORMULA: C12H16F3N3
MOLECULAR WEIGHT: 259.27075
SMILES: CN1CCN(CC1)C2=C(C=C(C=C2)N)C(F)(F)F
Structure:
CAS RN: 435273-55-5
CAS Name: 4-(1-methoxypropan-2-yloxy)aniline
OPENEYE Name: 4-(2-methoxy-1-methyl-ethoxy)aniline
IUPAC Name: 4-(1-methoxypropan-2-yloxy)aniline
SYSTEMATIC NAME: 4-(1-methoxypropan-2-yloxy)aniline
MOLECULAR FORMULA: C10H15NO2
MOLECULAR WEIGHT: 181.2316
SMILES: CC(COC)OC1=CC=C(C=C1)N
Structure:
CAS RN: 883548-10-5
CAS Name: (4-chlorophenyl)-(3-pyridinyl)methanamine
OPENEYE Name: (4-chlorophenyl)-(3-pyridyl)methanamine
IUPAC Name: (4-chlorophenyl)-pyridin-3-ylmethanamine
SYSTEMATIC NAME: (4-chlorophenyl)-pyridin-3-yl-methanamine
MOLECULAR FORMULA: C12H11ClN2
MOLECULAR WEIGHT: 218.68214
SMILES: C1=CC(=CN=C1)C(C2=CC=C(C=C2)Cl)N
Structure:
CAS RN: 441715-93-1
CAS Name: 6-fluoro-1-methyl-3-indolecarboxaldehyde
OPENEYE Name: 6-fluoro-1-methyl-indole-3-carbaldehyde
IUPAC Name: 6-fluoro-1-methylindole-3-carbaldehyde
SYSTEMATIC NAME: 6-fluoranyl-1-methyl-indole-3-carbaldehyde
MOLECULAR FORMULA: C10H8FNO
MOLECULAR WEIGHT: 177.175023
SMILES: CN1C=C(C2=C1C=C(C=C2)F)C=O
Structure:
CAS RN: 331-43-1
CAS Name: 4-(4-fluoro-3-methylphenyl)butanoic acid
OPENEYE Name: 4-(4-fluoro-3-methyl-phenyl)butanoic acid
IUPAC Name: 4-(4-fluoro-3-methylphenyl)butanoic acid
SYSTEMATIC NAME: 4-(4-fluoranyl-3-methyl-phenyl)butanoic acid
MOLECULAR FORMULA: C11H13FO2
MOLECULAR WEIGHT: 196.218123
SMILES: CC1=C(C=CC(=C1)CCCC(=O)O)F
Structure:
CAS RN: 39895-56-2
CAS Name: [4-(aminomethyl)phenyl]methanol
OPENEYE Name: [4-(aminomethyl)phenyl]methanol
IUPAC Name: [4-(aminomethyl)phenyl]methanol
SYSTEMATIC NAME: [4-(aminomethyl)phenyl]methanol
MOLECULAR FORMULA: C8H11NO
MOLECULAR WEIGHT: 137.17904
SMILES: C1=CC(=CC=C1CN)CO
Structure:
CAS RN: 753391-71-8
CAS Name: 4-(1-azepanyl)butanoic acid
OPENEYE Name: 4-(azepan-1-yl)butanoic acid
IUPAC Name: 4-(azepan-1-yl)butanoic acid
SYSTEMATIC NAME: 4-(azepan-1-yl)butanoic acid
MOLECULAR FORMULA: C10H19NO2
MOLECULAR WEIGHT: 185.26336
SMILES: C1CCCN(CC1)CCCC(=O)O
Structure:
CAS RN: 50609-01-3
CAS Name: 4-[2-(1-pyrrolidinyl)ethoxy]aniline
OPENEYE Name: 4-(2-pyrrolidin-1-ylethoxy)aniline
IUPAC Name: 4-(2-pyrrolidin-1-ylethoxy)aniline
SYSTEMATIC NAME: 4-(2-pyrrolidin-1-ylethoxy)aniline
MOLECULAR FORMULA: C12H18N2O
MOLECULAR WEIGHT: 206.28412
SMILES: C1CCN(C1)CCOC2=CC=C(C=C2)N
Structure:
CAS RN: 52761-74-7
CAS Name: 4-(1,2,4-triazol-4-yl)aniline
OPENEYE Name: 4-(1,2,4-triazol-4-yl)aniline
IUPAC Name: 4-(1,2,4-triazol-4-yl)aniline
SYSTEMATIC NAME: 4-(1,2,4-triazol-4-yl)aniline
MOLECULAR FORMULA: C8H8N4
MOLECULAR WEIGHT: 160.17592
SMILES: C1=CC(=CC=C1N)N2C=NN=C2
Structure:
CAS RN: 174855-57-3
CAS Name: 4-(2-formylphenyl)-1-piperazinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate
IUPAC Name: tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(2-methanoylphenyl)piperazine-1-carboxylate
MOLECULAR FORMULA: C16H22N2O3
MOLECULAR WEIGHT: 290.35748
SMILES: CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=CC=C2C=O
Structure:
CAS RN: 84611-22-3
CAS Name: 2-chloro-N-(2-oxo-3-thiolanyl)acetamide
OPENEYE Name: 2-chloro-N-(2-oxotetrahydrothiophen-3-yl)acetamide
IUPAC Name: 2-chloro-N-(2-oxothiolan-3-yl)acetamide
SYSTEMATIC NAME: 2-chloranyl-N-(2-oxidanylidenethiolan-3-yl)ethanamide
MOLECULAR FORMULA: C6H8ClNO2S
MOLECULAR WEIGHT: 193.65122
SMILES: C1CSC(=O)C1NC(=O)CCl
Structure:
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