CAS RN: 7497-57-6
CAS Name: 4-(2-bromo-9-acridinyl)-N,N-dimethylaniline
OPENEYE Name: 4-(2-bromoacridin-9-yl)-N,N-dimethyl-aniline
IUPAC Name: 4-(2-bromoacridin-9-yl)-N,N-dimethylaniline
SYSTEMATIC NAME: 4-(2-bromanylacridin-9-yl)-N,N-dimethyl-aniline
MOLECULAR FORMULA: C21H17BrN2
MOLECULAR WEIGHT: 377.27708
SMILES: CN(C)C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC4=CC=CC=C42)Br
Structure:
CAS RN: 7497-56-5
CAS Name: 4-(2-chloro-9-acridinyl)-N,N-dimethylaniline
OPENEYE Name: 4-(2-chloroacridin-9-yl)-N,N-dimethyl-aniline
IUPAC Name: 4-(2-chloroacridin-9-yl)-N,N-dimethylaniline
SYSTEMATIC NAME: 4-(2-chloranylacridin-9-yl)-N,N-dimethyl-aniline
MOLECULAR FORMULA: C21H17ClN2
MOLECULAR WEIGHT: 332.82608
SMILES: CN(C)C1=CC=C(C=C1)C2=C3C=C(C=CC3=NC4=CC=CC=C42)Cl
Structure:
CAS RN: 728-21-2
CAS Name: 5-bromo-3-(4-methoxyphenyl)-2,1-benzoxazole
OPENEYE Name: 5-bromo-3-(4-methoxyphenyl)-2,1-benzoxazole
IUPAC Name: 5-bromo-3-(4-methoxyphenyl)-2,1-benzoxazole
SYSTEMATIC NAME: 5-bromanyl-3-(4-methoxyphenyl)-2,1-benzoxazole
MOLECULAR FORMULA: C14H10BrNO2
MOLECULAR WEIGHT: 304.1387
SMILES: COC1=CC=C(C=C1)C2=C3C=C(C=CC3=NO2)Br
Structure:
CAS RN: 887-90-1
CAS Name: 5-bromo-3-(4-chlorophenyl)-2,1-benzoxazole
OPENEYE Name: 5-bromo-3-(4-chlorophenyl)-2,1-benzoxazole
IUPAC Name: 5-bromo-3-(4-chlorophenyl)-2,1-benzoxazole
SYSTEMATIC NAME: 5-bromanyl-3-(4-chlorophenyl)-2,1-benzoxazole
MOLECULAR FORMULA: C13H7BrClNO
MOLECULAR WEIGHT: 308.55778
SMILES: C1=CC(=CC=C1C2=C3C=C(C=CC3=NO2)Br)Cl
Structure:
CAS RN: 42024-41-9
CAS Name: butanoic acid [1-oxo-1-(2-phenylmethoxyethoxy)propan-2-yl] ester
OPENEYE Name: [2-(2-benzyloxyethoxy)-1-methyl-2-oxo-ethyl] butanoate
IUPAC Name: [1-oxo-1-(2-phenylmethoxyethoxy)propan-2-yl] butanoate
SYSTEMATIC NAME: [1-oxidanylidene-1-(2-phenylmethoxyethoxy)propan-2-yl] butanoate
MOLECULAR FORMULA: C16H22O5
MOLECULAR WEIGHT: 294.34288
SMILES: CCCC(=O)OC(C)C(=O)OCCOCC1=CC=CC=C1
Structure:
CAS RN: 7497-50-9
CAS Name: cyclohexene-1,2-dicarboxylic acid dipropan-2-yl ester
OPENEYE Name: diisopropyl cyclohexene-1,2-dicarboxylate
IUPAC Name: dipropan-2-yl cyclohexene-1,2-dicarboxylate
SYSTEMATIC NAME: dipropan-2-yl cyclohexene-1,2-dicarboxylate
MOLECULAR FORMULA: C14H22O4
MOLECULAR WEIGHT: 254.32208
SMILES: CC(C)OC(=O)C1=C(CCCC1)C(=O)OC(C)C
Structure:
CAS RN: 41480-08-4
CAS Name: benzenesulfonic acid (2-methylphenyl) ester
OPENEYE Name: o-tolyl benzenesulfonate
IUPAC Name: (2-methylphenyl) benzenesulfonate
SYSTEMATIC NAME: (2-methylphenyl) benzenesulfonate
MOLECULAR FORMULA: C13H12O3S
MOLECULAR WEIGHT: 248.29758
SMILES: CC1=CC=CC=C1OS(=O)(=O)C2=CC=CC=C2
Structure:
CAS RN: 2005-08-5
CAS Name: benzoic acid (4-chlorophenyl) ester
OPENEYE Name: (4-chlorophenyl) benzoate
IUPAC Name: (4-chlorophenyl) benzoate
SYSTEMATIC NAME: (4-chlorophenyl) benzoate
MOLECULAR FORMULA: C13H9ClO2
MOLECULAR WEIGHT: 232.66236
SMILES: C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)Cl
Structure:
CAS RN: 7770-38-9
CAS Name: 4-[2-(2-chloroethoxy)propan-2-yl]-1-methylcyclohexene
OPENEYE Name: 4-[1-(2-chloroethoxy)-1-methyl-ethyl]-1-methyl-cyclohexene
IUPAC Name: 4-[2-(2-chloroethoxy)propan-2-yl]-1-methylcyclohexene
SYSTEMATIC NAME: 4-[2-(2-chloroethyloxy)propan-2-yl]-1-methyl-cyclohexene
MOLECULAR FORMULA: C12H21ClO
MOLECULAR WEIGHT: 216.74754
SMILES: CC1=CCC(CC1)C(C)(C)OCCCl
Structure:
CAS RN: 7291-02-3
CAS Name: N,N-dimethyl-3-nitrobenzamide
OPENEYE Name: N,N-dimethyl-3-nitro-benzamide
IUPAC Name: N,N-dimethyl-3-nitrobenzamide
SYSTEMATIC NAME: N,N-dimethyl-3-nitro-benzamide
MOLECULAR FORMULA: C9H10N2O3
MOLECULAR WEIGHT: 194.1873
SMILES: CN(C)C(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Structure:
CAS RN: 73544-83-9
CAS Name: N-(2-chlorophenyl)-3-nitrobenzamide
OPENEYE Name: N-(2-chlorophenyl)-3-nitro-benzamide
IUPAC Name: N-(2-chlorophenyl)-3-nitrobenzamide
SYSTEMATIC NAME: N-(2-chlorophenyl)-3-nitro-benzamide
MOLECULAR FORMULA: C13H9ClN2O3
MOLECULAR WEIGHT: 276.67516
SMILES: C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Cl
Structure:
CAS RN: 2243-73-4
CAS Name: 3-nitro-N-phenylbenzamide
OPENEYE Name: 3-nitro-N-phenyl-benzamide
IUPAC Name: 3-nitro-N-phenylbenzamide
SYSTEMATIC NAME: 3-nitro-N-phenyl-benzamide
MOLECULAR FORMULA: C13H10N2O3
MOLECULAR WEIGHT: 242.2301
SMILES: C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 2448-05-7
CAS Name: N-(2-methylpropyl)-3-nitrobenzamide
OPENEYE Name: N-isobutyl-3-nitro-benzamide
IUPAC Name: N-(2-methylpropyl)-3-nitrobenzamide
SYSTEMATIC NAME: N-(2-methylpropyl)-3-nitro-benzamide
MOLECULAR FORMULA: C11H14N2O3
MOLECULAR WEIGHT: 222.24046
SMILES: CC(C)CNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Structure:
CAS RN: 70001-47-7
CAS Name: N-butyl-3-nitrobenzamide
OPENEYE Name: N-butyl-3-nitro-benzamide
IUPAC Name: N-butyl-3-nitrobenzamide
SYSTEMATIC NAME: N-butyl-3-nitro-benzamide
MOLECULAR FORMULA: C11H14N2O3
MOLECULAR WEIGHT: 222.24046
SMILES: CCCCNC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Structure:
CAS RN: 4066-99-3
CAS Name: 6-cyclohexylhexanoic acid ethyl ester
OPENEYE Name: ethyl 6-cyclohexylhexanoate
IUPAC Name: ethyl 6-cyclohexylhexanoate
SYSTEMATIC NAME: ethyl 6-cyclohexylhexanoate
MOLECULAR FORMULA: C14H26O2
MOLECULAR WEIGHT: 226.35504
SMILES: CCOC(=O)CCCCCC1CCCCC1
Structure:
CAS RN: 1575-94-6
CAS Name: N-(benzamidomethyl)benzamide
OPENEYE Name: N-(benzamidomethyl)benzamide
IUPAC Name: N-(benzamidomethyl)benzamide
SYSTEMATIC NAME: N-(benzamidomethyl)benzamide
MOLECULAR FORMULA: C15H14N2O2
MOLECULAR WEIGHT: 254.28386
SMILES: C1=CC=C(C=C1)C(=O)NCNC(=O)C2=CC=CC=C2
Structure:
CAS RN: 50445-53-9
CAS Name: 3-nitro-N-propan-2-ylbenzamide
OPENEYE Name: N-isopropyl-3-nitro-benzamide
IUPAC Name: 3-nitro-N-propan-2-ylbenzamide
SYSTEMATIC NAME: 3-nitro-N-propan-2-yl-benzamide
MOLECULAR FORMULA: C10H12N2O3
MOLECULAR WEIGHT: 208.21388
SMILES: CC(C)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Structure:
CAS RN: 2433-21-8
CAS Name: N,N-diethyl-3-nitrobenzamide
OPENEYE Name: N,N-diethyl-3-nitro-benzamide
IUPAC Name: N,N-diethyl-3-nitrobenzamide
SYSTEMATIC NAME: N,N-diethyl-3-nitro-benzamide
MOLECULAR FORMULA: C11H14N2O3
MOLECULAR WEIGHT: 222.24046
SMILES: CCN(CC)C(=O)C1=CC(=CC=C1)[N+](=O)[O-]
Structure:
CAS RN: 87277-46-1
CAS Name: 2-[4-(dimethylamino)phenyl]imino-1,2-diphenylethanone
OPENEYE Name: 2-[4-(dimethylamino)phenyl]imino-1,2-diphenyl-ethanone
IUPAC Name: 2-[4-(dimethylamino)phenyl]imino-1,2-diphenylethanone
SYSTEMATIC NAME: 2-[4-(dimethylamino)phenyl]imino-1,2-diphenyl-ethanone
MOLECULAR FORMULA: C22H20N2O
MOLECULAR WEIGHT: 328.407
SMILES: CN(C)C1=CC=C(C=C1)N=C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 7501-44-2
CAS Name: hexadecanoic acid 2-oxiranylmethyl ester
OPENEYE Name: oxiran-2-ylmethyl hexadecanoate
IUPAC Name: oxiran-2-ylmethyl hexadecanoate
SYSTEMATIC NAME: oxiran-2-ylmethyl hexadecanoate
MOLECULAR FORMULA: C19H36O3
MOLECULAR WEIGHT: 312.48734
SMILES: CCCCCCCCCCCCCCCC(=O)OCC1CO1
Structure:
CAS RN: 637-73-0
CAS Name: dodecanoic acid 2-oxolanylmethyl ester
OPENEYE Name: tetrahydrofuran-2-ylmethyl dodecanoate
IUPAC Name: oxolan-2-ylmethyl dodecanoate
SYSTEMATIC NAME: oxolan-2-ylmethyl dodecanoate
MOLECULAR FORMULA: C17H32O3
MOLECULAR WEIGHT: 284.43418
SMILES: CCCCCCCCCCCC(=O)OCC1CCCO1
Structure:
CAS RN: 1749-06-0
CAS Name: 4-(1,3-benzodioxol-5-ylmethylideneamino)-N,N-dimethylaniline
OPENEYE Name: 4-(1,3-benzodioxol-5-ylmethyleneamino)-N,N-dimethyl-aniline
IUPAC Name: 4-(1,3-benzodioxol-5-ylmethylideneamino)-N,N-dimethylaniline
SYSTEMATIC NAME: 4-(1,3-benzodioxol-5-ylmethylideneamino)-N,N-dimethyl-aniline
MOLECULAR FORMULA: C16H16N2O2
MOLECULAR WEIGHT: 268.31044
SMILES: CN(C)C1=CC=C(C=C1)N=CC2=CC3=C(C=C2)OCO3
Structure:
CAS RN: 40899-10-3
CAS Name: N-(1-benzamidoethyl)benzamide
OPENEYE Name: N-(1-benzamidoethyl)benzamide
IUPAC Name: N-(1-benzamidoethyl)benzamide
SYSTEMATIC NAME: N-(1-benzamidoethyl)benzamide
MOLECULAR FORMULA: C16H16N2O2
MOLECULAR WEIGHT: 268.31044
SMILES: CC(NC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2
Structure:
CAS RN: 94093-55-7
CAS Name: 3-(2-ethylbutoxy)propanoic acid 2-ethylbutyl ester
OPENEYE Name: 2-ethylbutyl 3-(2-ethylbutoxy)propanoate
IUPAC Name: 2-ethylbutyl 3-(2-ethylbutoxy)propanoate
SYSTEMATIC NAME: 2-ethylbutyl 3-(2-ethylbutoxy)propanoate
MOLECULAR FORMULA: C15H30O3
MOLECULAR WEIGHT: 258.3969
SMILES: CCC(CC)COCCC(=O)OCC(CC)CC
Structure:
CAS RN: 71114-52-8
CAS Name: N-(2,5-dimethylphenyl)benzamide
OPENEYE Name: N-(2,5-dimethylphenyl)benzamide
IUPAC Name: N-(2,5-dimethylphenyl)benzamide
SYSTEMATIC NAME: N-(2,5-dimethylphenyl)benzamide
MOLECULAR FORMULA: C15H15NO
MOLECULAR WEIGHT: 225.2857
SMILES: CC1=CC(=C(C=C1)C)NC(=O)C2=CC=CC=C2
Structure:
CAS RN: 20309-48-2
CAS Name: 2,3-dihydroxybutanedioic acid dipentyl ester
OPENEYE Name: dipentyl 2,3-dihydroxybutanedioate
IUPAC Name: dipentyl 2,3-dihydroxybutanedioate
SYSTEMATIC NAME: dipentyl 2,3-bis(oxidanyl)butanedioate
MOLECULAR FORMULA: C14H26O6
MOLECULAR WEIGHT: 290.35264
SMILES: CCCCCOC(=O)C(C(C(=O)OCCCCC)O)O
Structure:
CAS RN: 25173-09-5
CAS Name: 2-phenyl-N,N-dipropylacetamide
OPENEYE Name: 2-phenyl-N,N-dipropyl-acetamide
IUPAC Name: 2-phenyl-N,N-dipropylacetamide
SYSTEMATIC NAME: 2-phenyl-N,N-dipropyl-ethanamide
MOLECULAR FORMULA: C14H21NO
MOLECULAR WEIGHT: 219.32264
SMILES: CCCN(CCC)C(=O)CC1=CC=CC=C1
Structure:
CAS RN: 42175-34-8
CAS Name: 2-hydroxypropanoic acid decyl ester
OPENEYE Name: decyl 2-hydroxypropanoate
IUPAC Name: decyl 2-hydroxypropanoate
SYSTEMATIC NAME: decyl 2-oxidanylpropanoate
MOLECULAR FORMULA: C13H26O3
MOLECULAR WEIGHT: 230.34374
SMILES: CCCCCCCCCCOC(=O)C(C)O
Structure:
CAS RN: 68873-22-3
CAS Name: N-(2,6-dimethylphenyl)-2-furancarboxamide
OPENEYE Name: N-(2,6-dimethylphenyl)furan-2-carboxamide
IUPAC Name: N-(2,6-dimethylphenyl)furan-2-carboxamide
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)furan-2-carboxamide
MOLECULAR FORMULA: C13H13NO2
MOLECULAR WEIGHT: 215.24782
SMILES: CC1=C(C(=CC=C1)C)NC(=O)C2=CC=CO2
Structure:
CAS RN: 28457-05-8
CAS Name: 2-aminobenzoic acid 3-methylbutyl ester
OPENEYE Name: isopentyl 2-aminobenzoate
IUPAC Name: 3-methylbutyl 2-aminobenzoate
SYSTEMATIC NAME: 3-methylbutyl 2-azanylbenzoate
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CC(C)CCOC(=O)C1=CC=CC=C1N
Structure:
CAS RN: 93618-98-5
CAS Name: 5,5-dioxo-3-dibenzothiophenamine
OPENEYE Name: 5,5-dioxodibenzothiophen-3-amine
IUPAC Name: 5,5-dioxodibenzothiophen-3-amine
SYSTEMATIC NAME: 5,5-bis(oxidanylidene)dibenzothiophen-3-amine
MOLECULAR FORMULA: C12H9NO2S
MOLECULAR WEIGHT: 231.27036
SMILES: C1=CC=C2C(=C1)C3=C(S2(=O)=O)C=C(C=C3)N
Structure:
CAS RN: 51762-59-5
CAS Name: 3-nitrodibenzothiophene 5,5-dioxide
OPENEYE Name: 3-nitrodibenzothiophene 5,5-dioxide
IUPAC Name: 3-nitrodibenzothiophene 5,5-dioxide
SYSTEMATIC NAME: 3-nitrodibenzothiophene 5,5-dioxide
MOLECULAR FORMULA: C12H7NO4S
MOLECULAR WEIGHT: 261.25328
SMILES: C1=CC=C2C(=C1)C3=C(S2(=O)=O)C=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 14144-48-0
CAS Name: 3-butoxypropanoic acid butyl ester
OPENEYE Name: butyl 3-butoxypropanoate
IUPAC Name: butyl 3-butoxypropanoate
SYSTEMATIC NAME: butyl 3-butoxypropanoate
MOLECULAR FORMULA: C11H22O3
MOLECULAR WEIGHT: 202.29058
SMILES: CCCCOCCC(=O)OCCCC
Structure:
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