CAS RN: 60049-36-7
CAS Name: 2-amino-3-methyl-3-butenoic acid
OPENEYE Name: 2-amino-3-methyl-but-3-enoic acid
IUPAC Name: 2-amino-3-methylbut-3-enoic acid
SYSTEMATIC NAME: 2-azanyl-3-methyl-but-3-enoic acid
MOLECULAR FORMULA: C5H9NO2
MOLECULAR WEIGHT: 115.13046
SMILES: CC(=C)C(C(=O)O)N
Structure:
CAS RN: 62176-21-0
CAS Name: 5-bromo-2-dodecoxybenzoic acid
OPENEYE Name: 5-bromo-2-dodecoxy-benzoic acid
IUPAC Name: 5-bromo-2-dodecoxybenzoic acid
SYSTEMATIC NAME: 5-bromanyl-2-dodecoxy-benzoic acid
MOLECULAR FORMULA: C19H29BrO3
MOLECULAR WEIGHT: 385.33576
SMILES: CCCCCCCCCCCCOC1=C(C=C(C=C1)Br)C(=O)O
Structure:
CAS RN: 69718-71-4
CAS Name: 4-nitrobenzoic acid [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-2-methyl-3-[(4-nitrophenyl)-oxomethoxy]-4-oxanyl] ester
OPENEYE Name: [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-2-methyl-3-(4-nitrobenzoyl)oxy-tetrahydropyran-4-yl] 4-nitrobenzoate
IUPAC Name: [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-2-methyl-3-(4-nitrobenzoyl)oxyoxan-4-yl] 4-nitrobenzoate
SYSTEMATIC NAME: [6-[[3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-(4-nitrophenyl)carbonyloxy-oxan-4-yl] 4-nitrobenzoate
MOLECULAR FORMULA: C41H34N2O17
MOLECULAR WEIGHT: 826.71186
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)OC(=O)C6=CC=C(C=C6)[N+](=O)[O-])OC(=O)C7=CC=C(C=C7)[N+](=O)[O-]
Structure:
CAS RN: 69779-22-2
CAS Name: 4-nitrobenzoic acid [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-2-methyl-3-[(4-nitrophenyl)-oxomethoxy]-4-oxanyl] ester
OPENEYE Name: [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-2-methyl-3-(4-nitrobenzoyl)oxy-tetrahydropyran-4-yl] 4-nitrobenzoate
IUPAC Name: [6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-2-methyl-3-(4-nitrobenzoyl)oxyoxan-4-yl] 4-nitrobenzoate
SYSTEMATIC NAME: [6-[[3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-(4-nitrophenyl)carbonyloxy-oxan-4-yl] 4-nitrobenzoate
MOLECULAR FORMULA: C41H34N2O17
MOLECULAR WEIGHT: 826.71186
SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)OC(=O)C6=CC=C(C=C6)[N+](=O)[O-])OC(=O)C7=CC=C(C=C7)[N+](=O)[O-]
Structure:
CAS RN: 83183-01-1
CAS Name: bis(2-chloroethyl)amino-(hydroxyamino)phosphinic acid; cyclohexanamine
OPENEYE Name: bis(2-chloroethyl)amino-(hydroxyamino)phosphinic acid; cyclohexanamine
IUPAC Name: bis(2-chloroethyl)amino-(hydroxyamino)phosphinic acid; cyclohexanamine
SYSTEMATIC NAME: bis(2-chloroethyl)amino-(oxidanylamino)phosphinic acid; cyclohexanamine
MOLECULAR FORMULA: C10H24Cl2N3O3P
MOLECULAR WEIGHT: 336.195621
SMILES: C1CCC(CC1)N.C(CCl)N(CCCl)P(=O)(NO)O
Structure:
CAS RN: 71065-66-2
CAS Name: N-methylcarbamic acid [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylphenyl)-3-pyrrolyl]methyl ester
OPENEYE Name: [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(p-tolyl)pyrrol-3-yl]methyl N-methylcarbamate
IUPAC Name: [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylphenyl)pyrrol-3-yl]methyl N-methylcarbamate
SYSTEMATIC NAME: [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-methylphenyl)pyrrol-3-yl]methyl N-methylcarbamate
MOLECULAR FORMULA: C19H25N3O4
MOLECULAR WEIGHT: 359.4195
SMILES: CC1=CC=C(C=C1)C2=C(C(=C(N2C)C)COC(=O)NC)COC(=O)NC
Structure:
CAS RN: 70889-20-2
CAS Name: N-methylcarbamic acid [5-(4-fluorophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)-3-pyrrolyl]methyl ester
OPENEYE Name: [5-(4-fluorophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
IUPAC Name: [5-(4-fluorophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
SYSTEMATIC NAME: [5-(4-fluorophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
MOLECULAR FORMULA: C18H22FN3O4
MOLECULAR WEIGHT: 363.383383
SMILES: CC1=C(C(=C(N1C)C2=CC=C(C=C2)F)COC(=O)NC)COC(=O)NC
Structure:
CAS RN: 70889-30-4
CAS Name: N-methylcarbamic acid [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl)-3-pyrrolyl]methyl ester
OPENEYE Name: [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl)pyrrol-3-yl]methyl N-methylcarbamate
IUPAC Name: [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl)pyrrol-3-yl]methyl N-methylcarbamate
SYSTEMATIC NAME: [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-nitrophenyl)pyrrol-3-yl]methyl N-methylcarbamate
MOLECULAR FORMULA: C18H22N4O6
MOLECULAR WEIGHT: 390.39048
SMILES: CC1=C(C(=C(N1C)C2=CC=C(C=C2)[N+](=O)[O-])COC(=O)NC)COC(=O)NC
Structure:
CAS RN: 70889-21-3
CAS Name: N-methylcarbamic acid [5-(4-chlorophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)-3-pyrrolyl]methyl ester
OPENEYE Name: [5-(4-chlorophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
IUPAC Name: [5-(4-chlorophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
SYSTEMATIC NAME: [5-(4-chlorophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
MOLECULAR FORMULA: C18H22ClN3O4
MOLECULAR WEIGHT: 379.83798
SMILES: CC1=C(C(=C(N1C)C2=CC=C(C=C2)Cl)COC(=O)NC)COC(=O)NC
Structure:
CAS RN: 70889-29-1
CAS Name: N-methylcarbamic acid [5-(3,4-dichlorophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)-3-pyrrolyl]methyl ester
OPENEYE Name: [5-(3,4-dichlorophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
IUPAC Name: [5-(3,4-dichlorophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
SYSTEMATIC NAME: [5-(3,4-dichlorophenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
MOLECULAR FORMULA: C18H21Cl2N3O4
MOLECULAR WEIGHT: 414.28304
SMILES: CC1=C(C(=C(N1C)C2=CC(=C(C=C2)Cl)Cl)COC(=O)NC)COC(=O)NC
Structure:
CAS RN: 70889-23-5
CAS Name: N-methylcarbamic acid [5-(4-methoxyphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)-3-pyrrolyl]methyl ester
OPENEYE Name: [5-(4-methoxyphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
IUPAC Name: [5-(4-methoxyphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
SYSTEMATIC NAME: [5-(4-methoxyphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
MOLECULAR FORMULA: C19H25N3O5
MOLECULAR WEIGHT: 375.4189
SMILES: CC1=C(C(=C(N1C)C2=CC=C(C=C2)OC)COC(=O)NC)COC(=O)NC
Structure:
CAS RN: 70303-71-8
CAS Name: N-methylcarbamic acid [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-phenyl-3-pyrrolyl]methyl ester
OPENEYE Name: [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-phenyl-pyrrol-3-yl]methyl N-methylcarbamate
IUPAC Name: [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-phenylpyrrol-3-yl]methyl N-methylcarbamate
SYSTEMATIC NAME: [1,2-dimethyl-4-(methylcarbamoyloxymethyl)-5-phenyl-pyrrol-3-yl]methyl N-methylcarbamate
MOLECULAR FORMULA: C18H23N3O4
MOLECULAR WEIGHT: 345.39292
SMILES: CC1=C(C(=C(N1C)C2=CC=CC=C2)COC(=O)NC)COC(=O)NC
Structure:
CAS RN: 70889-18-8
CAS Name: N-methylcarbamic acid [5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)-3-pyrrolyl]methyl ester
OPENEYE Name: [5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
IUPAC Name: [5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
SYSTEMATIC NAME: [5-(4-tert-butylphenyl)-1,2-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate
MOLECULAR FORMULA: C22H31N3O4
MOLECULAR WEIGHT: 401.49924
SMILES: CC1=C(C(=C(N1C)C2=CC=C(C=C2)C(C)(C)C)COC(=O)NC)COC(=O)NC
Structure:
CAS RN: 71277-23-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H18O4
MOLECULAR WEIGHT: 262.30102
SMILES: CC12CCC(=O)C(=C)CCC3C(C1O2)OC(=O)C3=C
Structure:
CAS RN: 71277-22-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C17H22O5
MOLECULAR WEIGHT: 306.35358
SMILES: CC(=O)OC1CCC2(C(O2)C3C(CCC1=C)C(=C)C(=O)O3)C
Structure:
CAS RN: 71277-21-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20O4
MOLECULAR WEIGHT: 264.3169
SMILES: CC12CCC(C(=C)CCC3C(C1O2)OC(=O)C3=C)O
Structure:
CAS RN: 71277-24-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C16H22O5
MOLECULAR WEIGHT: 294.34288
SMILES: CC12CCC(C(=C)CCC3C(C1O2)OC(=O)C3=C)OOC
Structure:
CAS RN: 64845-91-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H20O5
MOLECULAR WEIGHT: 280.3163
SMILES: CC12CCC(C(=C)CCC3C(C1O2)OC(=O)C3=C)OO
Structure:
CAS RN: 68592-18-7
CAS Name: 1-methoxy-2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene
OPENEYE Name: 2-allyl-4-(5-allyl-2-methoxy-phenyl)-1-methoxy-benzene
IUPAC Name: 1-methoxy-2-(4-methoxy-3-prop-2-enylphenyl)-4-prop-2-enylbenzene
SYSTEMATIC NAME: 1-methoxy-2-(4-methoxy-3-prop-2-enyl-phenyl)-4-prop-2-enyl-benzene
MOLECULAR FORMULA: C20H22O2
MOLECULAR WEIGHT: 294.38748
SMILES: COC1=C(C=C(C=C1)C2=C(C=CC(=C2)CC=C)OC)CC=C
Structure:
CAS RN: 72670-63-4
CAS Name: 3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide
OPENEYE Name: 3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide
IUPAC Name: 3,5-dibromo-2-hydroxy-N-(4-isothiocyanatophenyl)benzamide
SYSTEMATIC NAME: 3,5-bis(bromanyl)-N-(4-isothiocyanatophenyl)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C14H8Br2N2O2S
MOLECULAR WEIGHT: 428.09852
SMILES: C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2O)Br)Br)N=C=S
Structure:
CAS RN: 72670-64-5
CAS Name: 3,5-dibromo-2-hydroxy-N-(4-isothiocyanato-2-methoxyphenyl)benzamide
OPENEYE Name: 3,5-dibromo-2-hydroxy-N-(4-isothiocyanato-2-methoxy-phenyl)benzamide
IUPAC Name: 3,5-dibromo-2-hydroxy-N-(4-isothiocyanato-2-methoxyphenyl)benzamide
SYSTEMATIC NAME: 3,5-bis(bromanyl)-N-(4-isothiocyanato-2-methoxy-phenyl)-2-oxidanyl-benzamide
MOLECULAR FORMULA: C15H10Br2N2O3S
MOLECULAR WEIGHT: 458.1245
SMILES: COC1=C(C=CC(=C1)N=C=S)NC(=O)C2=CC(=CC(=C2O)Br)Br
Structure:
CAS RN: 65325-69-1
CAS Name: 1-chloro-4-(fluoromethylsulfinyl)benzene
OPENEYE Name: 1-chloro-4-(fluoromethylsulfinyl)benzene
IUPAC Name: 1-chloro-4-(fluoromethylsulfinyl)benzene
SYSTEMATIC NAME: 1-chloranyl-4-(fluoranylmethylsulfinyl)benzene
MOLECULAR FORMULA: C7H6ClFOS
MOLECULAR WEIGHT: 192.638343
SMILES: C1=CC(=CC=C1S(=O)CF)Cl
Structure:
CAS RN: 65325-67-9
CAS Name: 1-(fluoromethylsulfinyl)-4-methylbenzene
OPENEYE Name: 1-(fluoromethylsulfinyl)-4-methyl-benzene
IUPAC Name: 1-(fluoromethylsulfinyl)-4-methylbenzene
SYSTEMATIC NAME: 1-(fluoranylmethylsulfinyl)-4-methyl-benzene
MOLECULAR FORMULA: C8H9FOS
MOLECULAR WEIGHT: 172.219863
SMILES: CC1=CC=C(C=C1)S(=O)CF
Structure:
CAS RN: 65325-68-0
CAS Name: fluoromethylsulfinylbenzene
OPENEYE Name: fluoromethylsulfinylbenzene
IUPAC Name: fluoromethylsulfinylbenzene
SYSTEMATIC NAME: fluoranylmethylsulfinylbenzene
MOLECULAR FORMULA: C7H7FOS
MOLECULAR WEIGHT: 158.193283
SMILES: C1=CC=C(C=C1)S(=O)CF
Structure:
CAS RN: 87626-70-8
CAS Name: 2-(4-oxo-2-thiophen-2-yl-1-benzopyran-8-yl)acetic acid methyl ester
OPENEYE Name: methyl 2-[4-oxo-2-(2-thienyl)chromen-8-yl]acetate
IUPAC Name: methyl 2-(4-oxo-2-thiophen-2-ylchromen-8-yl)acetate
SYSTEMATIC NAME: methyl 2-(4-oxidanylidene-2-thiophen-2-yl-chromen-8-yl)ethanoate
MOLECULAR FORMULA: C16H12O4S
MOLECULAR WEIGHT: 300.32908
SMILES: COC(=O)CC1=CC=CC2=C1OC(=CC2=O)C3=CC=CS3
Structure:
CAS RN: 60935-44-6
CAS Name: 2-(bromomethyl)-3-[2-(bromomethyl)-6-methoxy-3,5-dimethylphenyl]-4-methoxy-1,5-dimethylbenzene
OPENEYE Name: 2-(bromomethyl)-3-[2-(bromomethyl)-6-methoxy-3,5-dimethyl-phenyl]-4-methoxy-1,5-dimethyl-benzene
IUPAC Name: 2-(bromomethyl)-3-[2-(bromomethyl)-6-methoxy-3,5-dimethylphenyl]-4-methoxy-1,5-dimethylbenzene
SYSTEMATIC NAME: 2-(bromomethyl)-3-[2-(bromomethyl)-6-methoxy-3,5-dimethyl-phenyl]-4-methoxy-1,5-dimethyl-benzene
MOLECULAR FORMULA: C20H24Br2O2
MOLECULAR WEIGHT: 456.21136
SMILES: CC1=CC(=C(C(=C1CBr)C2=C(C(=CC(=C2OC)C)C)CBr)OC)C
Structure:
CAS RN: 60935-43-5
CAS Name: 2-(chloromethyl)-3-[2-(chloromethyl)-6-methoxy-3,5-dimethylphenyl]-4-methoxy-1,5-dimethylbenzene
OPENEYE Name: 2-(chloromethyl)-3-[2-(chloromethyl)-6-methoxy-3,5-dimethyl-phenyl]-4-methoxy-1,5-dimethyl-benzene
IUPAC Name: 2-(chloromethyl)-3-[2-(chloromethyl)-6-methoxy-3,5-dimethylphenyl]-4-methoxy-1,5-dimethylbenzene
SYSTEMATIC NAME: 2-(chloromethyl)-3-[2-(chloromethyl)-6-methoxy-3,5-dimethyl-phenyl]-4-methoxy-1,5-dimethyl-benzene
MOLECULAR FORMULA: C20H24Cl2O2
MOLECULAR WEIGHT: 367.30936
SMILES: CC1=CC(=C(C(=C1CCl)C2=C(C(=CC(=C2OC)C)C)CCl)OC)C
Structure:
CAS RN: 60935-42-4
CAS Name: [2-[2-(hydroxymethyl)-6-methoxy-3,5-dimethylphenyl]-3-methoxy-4,6-dimethylphenyl]methanol
OPENEYE Name: [2-[2-(hydroxymethyl)-6-methoxy-3,5-dimethyl-phenyl]-3-methoxy-4,6-dimethyl-phenyl]methanol
IUPAC Name: [2-[2-(hydroxymethyl)-6-methoxy-3,5-dimethylphenyl]-3-methoxy-4,6-dimethylphenyl]methanol
SYSTEMATIC NAME: [2-[2-(hydroxymethyl)-6-methoxy-3,5-dimethyl-phenyl]-3-methoxy-4,6-dimethyl-phenyl]methanol
MOLECULAR FORMULA: C20H26O4
MOLECULAR WEIGHT: 330.41804
SMILES: CC1=CC(=C(C(=C1CO)C2=C(C(=CC(=C2OC)C)C)CO)OC)C
Structure:
CAS RN: 61574-48-9
CAS Name: N-(4-ethoxyphenyl)carbamic acid 9-anthracenylmethyl ester
OPENEYE Name: 9-anthrylmethyl N-(4-ethoxyphenyl)carbamate
IUPAC Name: anthracen-9-ylmethyl N-(4-ethoxyphenyl)carbamate
SYSTEMATIC NAME: anthracen-9-ylmethyl N-(4-ethoxyphenyl)carbamate
MOLECULAR FORMULA: C24H21NO3
MOLECULAR WEIGHT: 371.42844
SMILES: CCOC1=CC=C(C=C1)NC(=O)OCC2=C3C=CC=CC3=CC4=CC=CC=C42
Structure:
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