CAS RN: 76092-29-0
CAS Name: 1-(2-methoxy-5-methyl-4-nitrophenyl)ethanone
OPENEYE Name: 1-(2-methoxy-5-methyl-4-nitro-phenyl)ethanone
IUPAC Name: 1-(2-methoxy-5-methyl-4-nitrophenyl)ethanone
SYSTEMATIC NAME: 1-(2-methoxy-5-methyl-4-nitro-phenyl)ethanone
MOLECULAR FORMULA: C10H11NO4
MOLECULAR WEIGHT: 209.19864
SMILES: CC1=C(C=C(C(=C1)C(=O)C)OC)[N+](=O)[O-]
Structure:
CAS RN: 6637-19-0
CAS Name: N'-(6-chloro-4-quinazolinyl)ethane-1,2-diamine
OPENEYE Name: N'-(6-chloroquinazolin-4-yl)ethane-1,2-diamine
IUPAC Name: N'-(6-chloroquinazolin-4-yl)ethane-1,2-diamine
SYSTEMATIC NAME: N'-(6-chloranylquinazolin-4-yl)ethane-1,2-diamine
MOLECULAR FORMULA: C10H11ClN4
MOLECULAR WEIGHT: 222.67414
SMILES: C1=CC2=C(C=C1Cl)C(=NC=N2)NCCN
Structure:
CAS RN: 6635-75-2
CAS Name: N-[2-(hydrazinecarbonyl)phenyl]acetamide
OPENEYE Name: N-[2-(hydrazinecarbonyl)phenyl]acetamide
IUPAC Name: N-[2-(hydrazinecarbonyl)phenyl]acetamide
SYSTEMATIC NAME: N-[2-(aminocarbamoyl)phenyl]ethanamide
MOLECULAR FORMULA: C9H11N3O2
MOLECULAR WEIGHT: 193.20254
SMILES: CC(=O)NC1=CC=CC=C1C(=O)NN
Structure:
CAS RN: 6951-70-8
CAS Name: 1-(2-amino-4,5-dichlorophenyl)ethanone
OPENEYE Name: 1-(2-amino-4,5-dichloro-phenyl)ethanone
IUPAC Name: 1-(2-amino-4,5-dichlorophenyl)ethanone
SYSTEMATIC NAME: 1-[2-azanyl-4,5-bis(chloranyl)phenyl]ethanone
MOLECULAR FORMULA: C8H7Cl2NO
MOLECULAR WEIGHT: 204.05328
SMILES: CC(=O)C1=CC(=C(C=C1N)Cl)Cl
Structure:
CAS RN: 85940-62-1
CAS Name: 1-(2-amino-4,5-dichlorophenyl)ethanone
OPENEYE Name: 1-(2-amino-4,5-dichloro-phenyl)ethanone
IUPAC Name: 1-(2-amino-4,5-dichlorophenyl)ethanone
SYSTEMATIC NAME: 1-[2-azanyl-4,5-bis(chloranyl)phenyl]ethanone
MOLECULAR FORMULA: C8H7Cl2NO
MOLECULAR WEIGHT: 204.05328
SMILES: CC(=O)C1=CC(=C(C=C1N)Cl)Cl
Structure:
CAS RN: 2131-62-6
CAS Name: 4-isothiocyanatobenzoic acid
OPENEYE Name: 4-isothiocyanatobenzoic acid
IUPAC Name: 4-isothiocyanatobenzoic acid
SYSTEMATIC NAME: 4-isothiocyanatobenzoic acid
MOLECULAR FORMULA: C8H5NO2S
MOLECULAR WEIGHT: 179.1958
SMILES: C1=CC(=CC=C1C(=O)O)N=C=S
Structure:
CAS RN: 75956-62-6
CAS Name: 1-(4,5-dichloro-2-nitrophenyl)ethanone
OPENEYE Name: 1-(4,5-dichloro-2-nitro-phenyl)ethanone
IUPAC Name: 1-(4,5-dichloro-2-nitrophenyl)ethanone
SYSTEMATIC NAME: 1-[4,5-bis(chloranyl)-2-nitro-phenyl]ethanone
MOLECULAR FORMULA: C8H5Cl2NO3
MOLECULAR WEIGHT: 234.0362
SMILES: CC(=O)C1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl
Structure:
CAS RN: 85929-96-0
CAS Name: 3-nitro-1-[4-(3-nitro-1-oxopropyl)-1-piperazinyl]-1-propanone
OPENEYE Name: 3-nitro-1-[4-(3-nitropropanoyl)piperazin-1-yl]propan-1-one
IUPAC Name: 3-nitro-1-[4-(3-nitropropanoyl)piperazin-1-yl]propan-1-one
SYSTEMATIC NAME: 3-nitro-1-[4-(3-nitropropanoyl)piperazin-1-yl]propan-1-one
MOLECULAR FORMULA: C10H16N4O6
MOLECULAR WEIGHT: 288.25724
SMILES: C1CN(CCN1C(=O)CC[N+](=O)[O-])C(=O)CC[N+](=O)[O-]
Structure:
CAS RN: 3742-63-0
CAS Name: N-(propan-2-ylideneamino)acetamide
OPENEYE Name: N-(isopropylideneamino)acetamide
IUPAC Name: N-(propan-2-ylideneamino)acetamide
SYSTEMATIC NAME: N-(propan-2-ylideneamino)ethanamide
MOLECULAR FORMULA: C5H10N2O
MOLECULAR WEIGHT: 114.1457
SMILES: CC(=NNC(=O)C)C
Structure:
CAS RN: 75847-62-0
CAS Name: 1,2,2-triphenyl-2-pyridin-4-ylethanone
OPENEYE Name: 1,2,2-triphenyl-2-(4-pyridyl)ethanone
IUPAC Name: 1,2,2-triphenyl-2-pyridin-4-ylethanone
SYSTEMATIC NAME: 1,2,2-triphenyl-2-pyridin-4-yl-ethanone
MOLECULAR FORMULA: C25H19NO
MOLECULAR WEIGHT: 349.42446
SMILES: C1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=NC=C4
Structure:
CAS RN: 6634-57-7
CAS Name: 4,4-bis[4-hydroxy-3-[(N-phenylanilino)methyl]phenyl]pentanoic acid
OPENEYE Name: 4,4-bis[4-hydroxy-3-[(N-phenylanilino)methyl]phenyl]pentanoic acid
IUPAC Name: 4,4-bis[4-hydroxy-3-[(N-phenylanilino)methyl]phenyl]pentanoic acid
SYSTEMATIC NAME: 4,4-bis[3-[(diphenylamino)methyl]-4-oxidanyl-phenyl]pentanoic acid
MOLECULAR FORMULA: C43H40N2O4
MOLECULAR WEIGHT: 648.7887
SMILES: CC(CCC(=O)O)(C1=CC(=C(C=C1)O)CN(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=C(C=C4)O)CN(C5=CC=CC=C5)C6=CC=CC=C6
Structure:
CAS RN: 758-18-9
CAS Name: 2-octyl-1,3-benzothiazole
OPENEYE Name: 2-octyl-1,3-benzothiazole
IUPAC Name: 2-octyl-1,3-benzothiazole
SYSTEMATIC NAME: 2-octyl-1,3-benzothiazole
MOLECULAR FORMULA: C15H21NS
MOLECULAR WEIGHT: 247.39894
SMILES: CCCCCCCCC1=NC2=CC=CC=C2S1
Structure:
CAS RN: 1629-12-5
CAS Name: N-(2-chlorophenyl)-3-fluorobenzamide
OPENEYE Name: N-(2-chlorophenyl)-3-fluoro-benzamide
IUPAC Name: N-(2-chlorophenyl)-3-fluorobenzamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-3-fluoranyl-benzamide
MOLECULAR FORMULA: C13H9ClFNO
MOLECULAR WEIGHT: 249.668063
SMILES: C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)F)Cl
Structure:
CAS RN: 15449-66-8
CAS Name: (2-bromo-5-fluorophenyl)-phenylmethanone
OPENEYE Name: (2-bromo-5-fluoro-phenyl)-phenyl-methanone
IUPAC Name: (2-bromo-5-fluorophenyl)-phenylmethanone
SYSTEMATIC NAME: (2-bromanyl-5-fluoranyl-phenyl)-phenyl-methanone
MOLECULAR FORMULA: C13H8BrFO
MOLECULAR WEIGHT: 279.104423
SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)F)Br
Structure:
CAS RN: 1003-98-1
CAS Name: 2-bromo-4-fluoroaniline
OPENEYE Name: 2-bromo-4-fluoro-aniline
IUPAC Name: 2-bromo-4-fluoroaniline
SYSTEMATIC NAME: 2-bromanyl-4-fluoranyl-aniline
MOLECULAR FORMULA: C6H5BrFN
MOLECULAR WEIGHT: 190.013003
SMILES: C1=CC(=C(C=C1F)Br)N
Structure:
CAS RN: 344-18-3
CAS Name: 2,6-dibromo-4-fluoroaniline
OPENEYE Name: 2,6-dibromo-4-fluoro-aniline
IUPAC Name: 2,6-dibromo-4-fluoroaniline
SYSTEMATIC NAME: 2,6-bis(bromanyl)-4-fluoranyl-aniline
MOLECULAR FORMULA: C6H4Br2FN
MOLECULAR WEIGHT: 268.909063
SMILES: C1=C(C=C(C(=C1Br)N)Br)F
Structure:
CAS RN: 3434-79-5
CAS Name: (8R,9S,13S,14S,16S,17R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
OPENEYE Name: (8R,9S,13S,14S,16S,17R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
IUPAC Name: (8R,9S,13S,14S,16S,17R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
SYSTEMATIC NAME: (8R,9S,13S,14S,16S,17R)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16,17-diol
MOLECULAR FORMULA: C19H26O3
MOLECULAR WEIGHT: 302.40794
SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)O)CCC4=C3C=CC(=C4)OC
Structure:
CAS RN: 321-12-0
CAS Name: 2-fluoro-5-methylbenzoic acid
OPENEYE Name: 2-fluoro-5-methyl-benzoic acid
IUPAC Name: 2-fluoro-5-methylbenzoic acid
SYSTEMATIC NAME: 2-fluoranyl-5-methyl-benzoic acid
MOLECULAR FORMULA: C8H7FO2
MOLECULAR WEIGHT: 154.138383
SMILES: CC1=CC(=C(C=C1)F)C(=O)O
Structure:
CAS RN: 403-15-6
CAS Name: 4-fluoro-3-methylbenzoic acid
OPENEYE Name: 4-fluoro-3-methyl-benzoic acid
IUPAC Name: 4-fluoro-3-methylbenzoic acid
SYSTEMATIC NAME: 4-fluoranyl-3-methyl-benzoic acid
MOLECULAR FORMULA: C8H7FO2
MOLECULAR WEIGHT: 154.138383
SMILES: CC1=C(C=CC(=C1)C(=O)O)F
Structure:
CAS RN: 403-45-2
CAS Name: 6-fluoro-3-pyridinecarboxylic acid
OPENEYE Name: 6-fluoropyridine-3-carboxylic acid
IUPAC Name: 6-fluoropyridine-3-carboxylic acid
SYSTEMATIC NAME: 6-fluoranylpyridine-3-carboxylic acid
MOLECULAR FORMULA: C6H4FNO2
MOLECULAR WEIGHT: 141.099863
SMILES: C1=CC(=NC=C1C(=O)O)F
Structure:
CAS RN: 5428-29-5
CAS Name: 1,3-dioxane-4,6-dione
OPENEYE Name: 1,3-dioxane-4,6-dione
IUPAC Name: 1,3-dioxane-4,6-dione
SYSTEMATIC NAME: 1,3-dioxane-4,6-dione
MOLECULAR FORMULA: C4H4O4
MOLECULAR WEIGHT: 116.07216
SMILES: C1C(=O)OCOC1=O
Structure:
CAS RN: 91010-41-2
CAS Name: 2,3-dichloro-N-(3-chlorophenyl)propanamide
OPENEYE Name: 2,3-dichloro-N-(3-chlorophenyl)propanamide
IUPAC Name: 2,3-dichloro-N-(3-chlorophenyl)propanamide
SYSTEMATIC NAME: 2,3-bis(chloranyl)-N-(3-chlorophenyl)propanamide
MOLECULAR FORMULA: C9H8Cl3NO
MOLECULAR WEIGHT: 252.52492
SMILES: C1=CC(=CC(=C1)Cl)NC(=O)C(CCl)Cl
Structure:
CAS RN: 5650-30-6
CAS Name: 2,2,12,12-tetramethyl-1,3,11,13-tetrathiacycloeicosane
OPENEYE Name: 2,2,12,12-tetramethyl-1,3,11,13-tetrathiacycloicosane
IUPAC Name: 2,2,12,12-tetramethyl-1,3,11,13-tetrathiacycloicosane
SYSTEMATIC NAME: 2,2,12,12-tetramethyl-1,3,11,13-tetrathiacycloicosane
MOLECULAR FORMULA: C20H40S4
MOLECULAR WEIGHT: 408.7916
SMILES: CC1(SCCCCCCCSC(SCCCCCCCS1)(C)C)C
Structure:
CAS RN: 757-86-8
CAS Name: 1,3-bis(2-methylprop-2-enyl)-2-prop-2-enoxybenzene
OPENEYE Name: 2-allyloxy-1,3-bis(2-methylallyl)benzene
IUPAC Name: 1,3-bis(2-methylprop-2-enyl)-2-prop-2-enoxybenzene
SYSTEMATIC NAME: 1,3-bis(2-methylprop-2-enyl)-2-prop-2-enoxy-benzene
MOLECULAR FORMULA: C17H22O
MOLECULAR WEIGHT: 242.35598
SMILES: CC(=C)CC1=C(C(=CC=C1)CC(=C)C)OCC=C
Structure:
CAS RN: 75753-19-4
CAS Name: 2-methylsulfonylpropylsulfonylmethylbenzene
OPENEYE Name: 2-methylsulfonylpropylsulfonylmethylbenzene
IUPAC Name: 2-methylsulfonylpropylsulfonylmethylbenzene
SYSTEMATIC NAME: 2-methylsulfonylpropylsulfonylmethylbenzene
MOLECULAR FORMULA: C11H16O4S2
MOLECULAR WEIGHT: 276.37234
SMILES: CC(CS(=O)(=O)CC1=CC=CC=C1)S(=O)(=O)C
Structure:
CAS RN: 75746-40-6
CAS Name: prop-2-enylsulfonylmethylbenzene
OPENEYE Name: allylsulfonylmethylbenzene
IUPAC Name: prop-2-enylsulfonylmethylbenzene
SYSTEMATIC NAME: prop-2-enylsulfonylmethylbenzene
MOLECULAR FORMULA: C10H12O2S
MOLECULAR WEIGHT: 196.26608
SMILES: C=CCS(=O)(=O)CC1=CC=CC=C1
Structure:
CAS RN: 7572-33-0
CAS Name: 1-(2-hydroxypropylsulfonyl)-2-propanol
OPENEYE Name: 1-(2-hydroxypropylsulfonyl)propan-2-ol
IUPAC Name: 1-(2-hydroxypropylsulfonyl)propan-2-ol
SYSTEMATIC NAME: 1-(2-oxidanylpropylsulfonyl)propan-2-ol
MOLECULAR FORMULA: C6H14O4S
MOLECULAR WEIGHT: 182.23796
SMILES: CC(CS(=O)(=O)CC(C)O)O
Structure:
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