CAS RN: 37569-03-2
CAS Name: N-[2-[2-[2-(3,4-dimethoxyphenyl)ethenyl]-4,5-dimethoxyphenyl]ethyl]-N-methylcarbamic acid ethyl ester
OPENEYE Name: ethyl N-[2-[2-[2-(3,4-dimethoxyphenyl)vinyl]-4,5-dimethoxy-phenyl]ethyl]-N-methyl-carbamate
IUPAC Name: ethyl N-[2-[2-[2-(3,4-dimethoxyphenyl)ethenyl]-4,5-dimethoxyphenyl]ethyl]-N-methylcarbamate
SYSTEMATIC NAME: ethyl N-[2-[2-[2-(3,4-dimethoxyphenyl)ethenyl]-4,5-dimethoxy-phenyl]ethyl]-N-methyl-carbamate
MOLECULAR FORMULA: C24H31NO6
MOLECULAR WEIGHT: 429.50604
SMILES: CCOC(=O)N(C)CCC1=CC(=C(C=C1C=CC2=CC(=C(C=C2)OC)OC)OC)OC
Structure:
CAS RN: 89045-84-1
CAS Name: 5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxaldehyde
OPENEYE Name: 5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde
IUPAC Name: 5-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde
SYSTEMATIC NAME: 5-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline-6-carbaldehyde
MOLECULAR FORMULA: C19H16BrNO5
MOLECULAR WEIGHT: 418.23804
SMILES: C1CN(C(C2=CC3=C(C=C21)OCO3)CC4=CC5=C(C=C4Br)OCO5)C=O
Structure:
CAS RN: 49715-59-5
CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(6-bromo-1,3-benzodioxol-5-yl)acetamide
OPENEYE Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(6-bromo-1,3-benzodioxol-5-yl)acetamide
IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(6-bromo-1,3-benzodioxol-5-yl)acetamide
SYSTEMATIC NAME: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethanamide
MOLECULAR FORMULA: C18H16BrNO5
MOLECULAR WEIGHT: 406.22734
SMILES: C1OC2=C(O1)C=C(C=C2)CCNC(=O)CC3=CC4=C(C=C3Br)OCO4
Structure:
CAS RN: 62421-43-6
CAS Name: N,N-dimethyl-2-[6-(1,7,8-trimethoxy-3,4-dihydro-1H-2-benzopyran-3-yl)-1,3-benzodioxol-5-yl]ethanamine
OPENEYE Name: N,N-dimethyl-2-[6-(1,7,8-trimethoxyisochroman-3-yl)-1,3-benzodioxol-5-yl]ethanamine
IUPAC Name: N,N-dimethyl-2-[6-(1,7,8-trimethoxy-3,4-dihydro-1H-isochromen-3-yl)-1,3-benzodioxol-5-yl]ethanamine
SYSTEMATIC NAME: N,N-dimethyl-2-[6-(1,7,8-trimethoxy-3,4-dihydro-1H-isochromen-3-yl)-1,3-benzodioxol-5-yl]ethanamine
MOLECULAR FORMULA: C23H29NO6
MOLECULAR WEIGHT: 415.47946
SMILES: CN(C)CCC1=CC2=C(C=C1C3CC4=C(C(O3)OC)C(=C(C=C4)OC)OC)OCO2
Structure:
CAS RN: 62421-42-5
CAS Name: N-methyl-N-[2-[6-(1,7,8-trimethoxy-3,4-dihydro-1H-2-benzopyran-3-yl)-1,3-benzodioxol-5-yl]ethyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-methyl-N-[2-[6-(1,7,8-trimethoxyisochroman-3-yl)-1,3-benzodioxol-5-yl]ethyl]carbamate
IUPAC Name: ethyl N-methyl-N-[2-[6-(1,7,8-trimethoxy-3,4-dihydro-1H-isochromen-3-yl)-1,3-benzodioxol-5-yl]ethyl]carbamate
SYSTEMATIC NAME: ethyl N-methyl-N-[2-[6-(1,7,8-trimethoxy-3,4-dihydro-1H-isochromen-3-yl)-1,3-benzodioxol-5-yl]ethyl]carbamate
MOLECULAR FORMULA: C25H31NO8
MOLECULAR WEIGHT: 473.51554
SMILES: CCOC(=O)N(C)CCC1=CC2=C(C=C1C3CC4=C(C(O3)OC)C(=C(C=C4)OC)OC)OCO2
Structure:
CAS RN: 62421-41-4
CAS Name: N-[2-[6-(1-hydroxy-7,8-dimethoxy-3,4-dihydro-1H-2-benzopyran-3-yl)-1,3-benzodioxol-5-yl]ethyl]-N-methylcarbamic acid ethyl ester
OPENEYE Name: ethyl N-[2-[6-(1-hydroxy-7,8-dimethoxy-isochroman-3-yl)-1,3-benzodioxol-5-yl]ethyl]-N-methyl-carbamate
IUPAC Name: ethyl N-[2-[6-(1-hydroxy-7,8-dimethoxy-3,4-dihydro-1H-isochromen-3-yl)-1,3-benzodioxol-5-yl]ethyl]-N-methylcarbamate
SYSTEMATIC NAME: ethyl N-[2-[6-(7,8-dimethoxy-1-oxidanyl-3,4-dihydro-1H-isochromen-3-yl)-1,3-benzodioxol-5-yl]ethyl]-N-methyl-carbamate
MOLECULAR FORMULA: C24H29NO8
MOLECULAR WEIGHT: 459.48896
SMILES: CCOC(=O)N(C)CCC1=CC2=C(C=C1C3CC4=C(C(O3)O)C(=C(C=C4)OC)OC)OCO2
Structure:
CAS RN: 61065-19-8
CAS Name: 5-[[3,4-dimethoxy-2-(2-phenylethenyl)phenyl]methyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
OPENEYE Name: 5-[(3,4-dimethoxy-2-styryl-phenyl)methyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
IUPAC Name: 5-[[3,4-dimethoxy-2-(2-phenylethenyl)phenyl]methyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
SYSTEMATIC NAME: 5-[[3,4-dimethoxy-2-(2-phenylethenyl)phenyl]methyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
MOLECULAR FORMULA: C28H29NO4
MOLECULAR WEIGHT: 443.53416
SMILES: CN1CCC2=CC3=C(C=C2C1CC4=C(C(=C(C=C4)OC)OC)C=CC5=CC=CC=C5)OCO3
Structure:
CAS RN: 61065-16-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C27H27NO4
MOLECULAR WEIGHT: 429.50758
SMILES: COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2CC6=CC=CC=C6)OCO5)C=C1)OC
Structure:
CAS RN: 18017-47-5
CAS Name: [2-[(6,7-dimethoxy-1-isoquinolinyl)methyl]-4,5-dimethoxyphenyl]methanol
OPENEYE Name: [2-[(6,7-dimethoxy-1-isoquinolyl)methyl]-4,5-dimethoxy-phenyl]methanol
IUPAC Name: [2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]methanol
SYSTEMATIC NAME: [2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]methanol
MOLECULAR FORMULA: C21H23NO5
MOLECULAR WEIGHT: 369.41102
SMILES: COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3CO)OC)OC)OC
Structure:
CAS RN: 70866-38-5
CAS Name: [2,3-dimethoxy-6-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]phenyl]methanol
OPENEYE Name: [2,3-dimethoxy-6-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]phenyl]methanol
IUPAC Name: [2,3-dimethoxy-6-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]phenyl]methanol
SYSTEMATIC NAME: [2,3-dimethoxy-6-[(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)methyl]phenyl]methanol
MOLECULAR FORMULA: C21H25NO5
MOLECULAR WEIGHT: 371.4269
SMILES: CN1CCC2=CC3=C(C=C2C1CC4=C(C(=C(C=C4)OC)OC)CO)OCO3
Structure:
CAS RN: 80243-94-3
CAS Name: 6-[2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]-1-oxoethyl]-2,3-dimethoxybenzoic acid methyl ester
OPENEYE Name: methyl 6-[2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxy-benzoate
IUPAC Name: methyl 6-[2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]acetyl]-2,3-dimethoxybenzoate
SYSTEMATIC NAME: methyl 6-[2-[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]ethanoyl]-2,3-dimethoxy-benzoate
MOLECULAR FORMULA: C23H27NO7
MOLECULAR WEIGHT: 429.46298
SMILES: CN(C)CCC1=CC2=C(C=C1CC(=O)C3=C(C(=C(C=C3)OC)OC)C(=O)OC)OCO2
Structure:
CAS RN: 4846-32-6
CAS Name: [1,3]dioxolo[4,5-f]isoindole-5,7-dione
OPENEYE Name: [1,3]dioxolo[4,5-f]isoindole-5,7-dione
IUPAC Name: [1,3]dioxolo[4,5-f]isoindole-5,7-dione
SYSTEMATIC NAME: [1,3]dioxolo[4,5-f]isoindole-5,7-dione
MOLECULAR FORMULA: C9H5NO4
MOLECULAR WEIGHT: 191.1403
SMILES: C1OC2=C(O1)C=C3C(=C2)C(=O)NC3=O
Structure:
CAS RN: 23825-10-7
CAS Name: acetic acid [1-(2-pyridinyl)-2-naphthalenyl] ester
OPENEYE Name: [1-(2-pyridyl)-2-naphthyl] acetate
IUPAC Name: (1-pyridin-2-ylnaphthalen-2-yl) acetate
SYSTEMATIC NAME: (1-pyridin-2-ylnaphthalen-2-yl) ethanoate
MOLECULAR FORMULA: C17H13NO2
MOLECULAR WEIGHT: 263.29062
SMILES: CC(=O)OC1=C(C2=CC=CC=C2C=C1)C3=CC=CC=N3
Structure:
CAS RN: 51665-96-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H19NO4
MOLECULAR WEIGHT: 337.36916
SMILES: CN1CCC2=CC(=C3C4=C2C1CC5=CC6=C(C(=C54)CO3)OCO6)OC
Structure:
CAS RN: 39797-90-5
CAS Name: 3-nitropropanoic acid [3,4,5-trihydroxy-6-(3-nitro-1-oxopropoxy)-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-trihydroxy-6-(3-nitropropanoyloxy)tetrahydropyran-2-yl]methyl 3-nitropropanoate
IUPAC Name: [3,4,5-trihydroxy-6-(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate
SYSTEMATIC NAME: [6-(3-nitropropanoyloxy)-3,4,5-tris(oxidanyl)oxan-2-yl]methyl 3-nitropropanoate
MOLECULAR FORMULA: C12H18N2O12
MOLECULAR WEIGHT: 382.27752
SMILES: C(C[N+](=O)[O-])C(=O)OCC1C(C(C(C(O1)OC(=O)CC[N+](=O)[O-])O)O)O
Structure:
CAS RN: 1400-11-9
CAS Name: 3-nitropropanoic acid [3,4-dihydroxy-5,6-bis(3-nitro-1-oxopropoxy)-2-oxanyl]methyl ester
OPENEYE Name: [3,4-dihydroxy-5,6-bis(3-nitropropanoyloxy)tetrahydropyran-2-yl]methyl 3-nitropropanoate
IUPAC Name: [3,4-dihydroxy-5,6-bis(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate
SYSTEMATIC NAME: [5,6-bis(3-nitropropanoyloxy)-3,4-bis(oxidanyl)oxan-2-yl]methyl 3-nitropropanoate
MOLECULAR FORMULA: C15H21N3O15
MOLECULAR WEIGHT: 483.33834
SMILES: C(C[N+](=O)[O-])C(=O)OCC1C(C(C(C(O1)OC(=O)CC[N+](=O)[O-])OC(=O)CC[N+](=O)[O-])O)O
Structure:
CAS RN: 63505-68-0
CAS Name: 3-nitropropanoic acid [3,4,6-trihydroxy-5-(3-nitro-1-oxopropoxy)-2-oxanyl]methyl ester
OPENEYE Name: [3,4,6-trihydroxy-5-(3-nitropropanoyloxy)tetrahydropyran-2-yl]methyl 3-nitropropanoate
IUPAC Name: [3,4,6-trihydroxy-5-(3-nitropropanoyloxy)oxan-2-yl]methyl 3-nitropropanoate
SYSTEMATIC NAME: [5-(3-nitropropanoyloxy)-3,4,6-tris(oxidanyl)oxan-2-yl]methyl 3-nitropropanoate
MOLECULAR FORMULA: C12H18N2O12
MOLECULAR WEIGHT: 382.27752
SMILES: C(C[N+](=O)[O-])C(=O)OCC1C(C(C(C(O1)O)OC(=O)CC[N+](=O)[O-])O)O
Structure:
CAS RN: 75968-34-2
CAS Name: 2-[[3-[(carboxymethylideneamino)sulfamoyl]phenyl]sulfonylhydrazinylidene]acetic acid
OPENEYE Name: 2-[[3-[(carboxymethyleneamino)sulfamoyl]phenyl]sulfonylhydrazono]acetic acid
IUPAC Name: 2-[[3-[(carboxymethylideneamino)sulfamoyl]phenyl]sulfonylhydrazinylidene]acetic acid
SYSTEMATIC NAME: 2-[[3-[[(2-oxidanyl-2-oxidanylidene-ethylidene)amino]sulfamoyl]phenyl]sulfonylhydrazinylidene]ethanoic acid
MOLECULAR FORMULA: C10H10N4O8S2
MOLECULAR WEIGHT: 378.3384
SMILES: C1=CC(=CC(=C1)S(=O)(=O)NN=CC(=O)O)S(=O)(=O)NN=CC(=O)O
Structure:
CAS RN: 75968-28-4
CAS Name: 2-(thiophen-2-ylsulfonylhydrazinylidene)acetic acid
OPENEYE Name: 2-(2-thienylsulfonylhydrazono)acetic acid
IUPAC Name: 2-(thiophen-2-ylsulfonylhydrazinylidene)acetic acid
SYSTEMATIC NAME: 2-(thiophen-2-ylsulfonylhydrazinylidene)ethanoic acid
MOLECULAR FORMULA: C6H6N2O4S2
MOLECULAR WEIGHT: 234.25284
SMILES: C1=CSC(=C1)S(=O)(=O)NN=CC(=O)O
Structure:
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