CAS RN: 7505-27-3
CAS Name: 9-[1-(1-acetyl-3-hydroxy-5-methyl-2-piperidinyl)ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a-tetradecahydro-1H-benzo[a]fluoren-11-one
OPENEYE Name: 9-[1-(1-acetyl-3-hydroxy-5-methyl-2-piperidyl)ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a-tetradecahydro-1H-benzo[a]fluoren-11-one
IUPAC Name: 9-[1-(1-acetyl-3-hydroxy-5-methylpiperidin-2-yl)ethyl]-3-hydroxy-10,11b-dimethyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a-tetradecahydro-1H-benzo[a]fluoren-11-one
SYSTEMATIC NAME: 9-[1-(1-ethanoyl-5-methyl-3-oxidanyl-piperidin-2-yl)ethyl]-10,11b-dimethyl-3-oxidanyl-2,3,4,4a,5,6,6a,6b,7,8,9,10,10a,11a-tetradecahydro-1H-benzo[a]fluoren-11-one
MOLECULAR FORMULA: C29H47NO4
MOLECULAR WEIGHT: 473.68778
SMILES: CC1CC(C(N(C1)C(=O)C)C(C)C2CCC3C4CCC5CC(CCC5(C4C(=O)C3C2C)C)O)O
Structure:
CAS RN: 7505-26-2
CAS Name: acetic acid [9-[1-(1-acetyl-3-acetyloxy-5-methyl-2-piperidinyl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] ester
OPENEYE Name: [9-[1-(3-acetoxy-1-acetyl-5-methyl-2-piperidyl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate
IUPAC Name: [9-[1-(1-acetyl-3-acetyloxy-5-methylpiperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxo-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] acetate
SYSTEMATIC NAME: [9-[1-(3-acetyloxy-1-ethanoyl-5-methyl-piperidin-2-yl)ethyl]-10,11b-dimethyl-11-oxidanylidene-2,3,4,4a,5,6,6a,6b,7,10,10a,11a-dodecahydro-1H-benzo[a]fluoren-3-yl] ethanoate
MOLECULAR FORMULA: C33H49NO6
MOLECULAR WEIGHT: 555.74526
SMILES: CC1CC(C(N(C1)C(=O)C)C(C)C2=CCC3C4CCC5CC(CCC5(C4C(=O)C3C2C)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 7505-25-1
CAS Name: 4'-acetyl-3',6',10,11b-tetramethylspiro[2,4,4a,5,6,6a,6b,7,8,10,10a,11a-dodecahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3,11-dione
OPENEYE Name: 4'-acetyl-3',6',10,11b-tetramethyl-spiro[2,4,4a,5,6,6a,6b,7,8,10,10a,11a-dodecahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3,11-dione
IUPAC Name: 4'-acetyl-3',6',10,11b-tetramethylspiro[2,4,4a,5,6,6a,6b,7,8,10,10a,11a-dodecahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3,11-dione
SYSTEMATIC NAME: 4'-ethanoyl-3',6',10,11b-tetramethyl-spiro[2,4,4a,5,6,6a,6b,7,8,10,10a,11a-dodecahydro-1H-benzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3,11-dione
MOLECULAR FORMULA: C29H43NO4
MOLECULAR WEIGHT: 469.65602
SMILES: CC1CC2C(C(C3(O2)CCC4C5CCC6CC(=O)CCC6(C5C(=O)C4C3C)C)C)N(C1)C(=O)C
Structure:
CAS RN: 7595-52-0
CAS Name: 4'-acetyl-3-hydroxy-3',6',10,11b-tetramethyl-11-spiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,10a,11a-tetradecahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]one
OPENEYE Name: 4'-acetyl-3-hydroxy-3',6',10,11b-tetramethyl-spiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,10a,11a-tetradecahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-11-one
IUPAC Name: 4'-acetyl-3-hydroxy-3',6',10,11b-tetramethylspiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,10a,11a-tetradecahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-11-one
SYSTEMATIC NAME: 4'-ethanoyl-3',6',10,11b-tetramethyl-3-oxidanyl-spiro[1,2,3,4,4a,5,6,6a,6b,7,8,10,10a,11a-tetradecahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-11-one
MOLECULAR FORMULA: C29H45NO4
MOLECULAR WEIGHT: 471.6719
SMILES: CC1CC2C(C(C3(O2)CCC4C5CCC6CC(CCC6(C5C(=O)C4C3C)C)O)C)N(C1)C(=O)C
Structure:
CAS RN: 7622-06-2
CAS Name: acetic acid (4'-acetyl-3',6',10,11b-tetramethyl-11-oxo-3-spiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]yl) ester
OPENEYE Name: (4'-acetyl-3',6',10,11b-tetramethyl-11-oxo-spiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-yl) acetate
IUPAC Name: (4'-acetyl-3',6',10,11b-tetramethyl-11-oxospiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-yl) acetate
SYSTEMATIC NAME: (4'-ethanoyl-3',6',10,11b-tetramethyl-11-oxidanylidene-spiro[1,2,3,4,6,6a,6b,7,8,11a-decahydrobenzo[a]fluorene-9,2'-3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyridine]-3-yl) ethanoate
MOLECULAR FORMULA: C31H43NO5
MOLECULAR WEIGHT: 509.67682
SMILES: CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)OC(=O)C)C)N(C1)C(=O)C
Structure:
CAS RN: 579-60-2
CAS Name: 2-methoxy-6-prop-2-enylphenol
OPENEYE Name: 2-allyl-6-methoxy-phenol
IUPAC Name: 2-methoxy-6-prop-2-enylphenol
SYSTEMATIC NAME: 2-methoxy-6-prop-2-enyl-phenol
MOLECULAR FORMULA: C10H12O2
MOLECULAR WEIGHT: 164.20108
SMILES: COC1=CC=CC(=C1O)CC=C
Structure:
CAS RN: 4399-06-8
CAS Name: acetic acid [4-[1-(4-acetyloxyphenyl)-2,2,2-trichloroethyl]phenyl] ester
OPENEYE Name: [4-[1-(4-acetoxyphenyl)-2,2,2-trichloro-ethyl]phenyl] acetate
IUPAC Name: [4-[1-(4-acetyloxyphenyl)-2,2,2-trichloroethyl]phenyl] acetate
SYSTEMATIC NAME: [4-[1-(4-acetyloxyphenyl)-2,2,2-tris(chloranyl)ethyl]phenyl] ethanoate
MOLECULAR FORMULA: C18H15Cl3O4
MOLECULAR WEIGHT: 401.6683
SMILES: CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC(=O)C)C(Cl)(Cl)Cl
Structure:
CAS RN: 50964-16-4
CAS Name: 4-methylbenzenesulfonic acid 2-(2-butoxyethoxy)ethyl ester
OPENEYE Name: 2-(2-butoxyethoxy)ethyl 4-methylbenzenesulfonate
IUPAC Name: 2-(2-butoxyethoxy)ethyl 4-methylbenzenesulfonate
SYSTEMATIC NAME: 2-(2-butoxyethoxy)ethyl 4-methylbenzenesulfonate
MOLECULAR FORMULA: C15H24O5S
MOLECULAR WEIGHT: 316.41306
SMILES: CCCCOCCOCCOS(=O)(=O)C1=CC=C(C=C1)C
Structure:
CAS RN: 59333-62-9
CAS Name: 2-octylisoindole-1,3-dione
OPENEYE Name: 2-octylisoindoline-1,3-dione
IUPAC Name: 2-octylisoindole-1,3-dione
SYSTEMATIC NAME: 2-octylisoindole-1,3-dione
MOLECULAR FORMULA: C16H21NO2
MOLECULAR WEIGHT: 259.34344
SMILES: CCCCCCCCN1C(=O)C2=CC=CC=C2C1=O
Structure:
CAS RN: 71510-40-2
CAS Name: 2-heptylisoindole-1,3-dione
OPENEYE Name: 2-heptylisoindoline-1,3-dione
IUPAC Name: 2-heptylisoindole-1,3-dione
SYSTEMATIC NAME: 2-heptylisoindole-1,3-dione
MOLECULAR FORMULA: C15H19NO2
MOLECULAR WEIGHT: 245.31686
SMILES: CCCCCCCN1C(=O)C2=CC=CC=C2C1=O
Structure:
CAS RN: 33238-32-3
CAS Name: 2-(2-methyl-5-nitrophenyl)isoindole-1,3-dione
OPENEYE Name: 2-(2-methyl-5-nitro-phenyl)isoindoline-1,3-dione
IUPAC Name: 2-(2-methyl-5-nitrophenyl)isoindole-1,3-dione
SYSTEMATIC NAME: 2-(2-methyl-5-nitro-phenyl)isoindole-1,3-dione
MOLECULAR FORMULA: C15H10N2O4
MOLECULAR WEIGHT: 282.2509
SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O
Structure:
CAS RN: 3899-96-5
CAS Name: 4-methylbenzenesulfonic acid (4-methylphenyl) ester
OPENEYE Name: p-tolyl 4-methylbenzenesulfonate
IUPAC Name: (4-methylphenyl) 4-methylbenzenesulfonate
SYSTEMATIC NAME: (4-methylphenyl) 4-methylbenzenesulfonate
MOLECULAR FORMULA: C14H14O3S
MOLECULAR WEIGHT: 262.32416
SMILES: CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C
Structure:
CAS RN: 36647-25-3
CAS Name: 2-(3-nitrophenyl)isoindole-1,3-dione
OPENEYE Name: 2-(3-nitrophenyl)isoindoline-1,3-dione
IUPAC Name: 2-(3-nitrophenyl)isoindole-1,3-dione
SYSTEMATIC NAME: 2-(3-nitrophenyl)isoindole-1,3-dione
MOLECULAR FORMULA: C14H8N2O4
MOLECULAR WEIGHT: 268.22432
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-]
Structure:
CAS RN: 71510-39-9
CAS Name: 2-pentylisoindole-1,3-dione
OPENEYE Name: 2-pentylisoindoline-1,3-dione
IUPAC Name: 2-pentylisoindole-1,3-dione
SYSTEMATIC NAME: 2-pentylisoindole-1,3-dione
MOLECULAR FORMULA: C13H15NO2
MOLECULAR WEIGHT: 217.2637
SMILES: CCCCCN1C(=O)C2=CC=CC=C2C1=O
Structure:
CAS RN: 6845-38-1
CAS Name: 4-methylbenzenesulfonic acid (2,3,4,5,6-pentachlorophenyl) ester
OPENEYE Name: (2,3,4,5,6-pentachlorophenyl) 4-methylbenzenesulfonate
IUPAC Name: (2,3,4,5,6-pentachlorophenyl) 4-methylbenzenesulfonate
SYSTEMATIC NAME: [2,3,4,5,6-pentakis(chloranyl)phenyl] 4-methylbenzenesulfonate
MOLECULAR FORMULA: C13H7Cl5O3S
MOLECULAR WEIGHT: 420.52288
SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl
Structure:
CAS RN: 19419-23-9
CAS Name: 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-phenylmethyl]-5,5-dimethylcyclohexane-1,3-dione
OPENEYE Name: 2-[(4,4-dimethyl-2,6-dioxo-cyclohexyl)-phenyl-methyl]-5,5-dimethyl-cyclohexane-1,3-dione
IUPAC Name: 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)-phenylmethyl]-5,5-dimethylcyclohexane-1,3-dione
SYSTEMATIC NAME: 2-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexyl]-phenyl-methyl]-5,5-dimethyl-cyclohexane-1,3-dione
MOLECULAR FORMULA: C23H28O4
MOLECULAR WEIGHT: 368.46602
SMILES: CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=CC=CC=C3)C
Structure:
CAS RN: 55059-22-8
CAS Name: 1-butoxy-2-phenylbenzene
OPENEYE Name: 1-butoxy-2-phenyl-benzene
IUPAC Name: 1-butoxy-2-phenylbenzene
SYSTEMATIC NAME: 1-butoxy-2-phenyl-benzene
MOLECULAR FORMULA: C16H18O
MOLECULAR WEIGHT: 226.31352
SMILES: CCCCOC1=CC=CC=C1C2=CC=CC=C2
Structure:
CAS RN: 7505-24-0
CAS Name: 2-[2-(2-butoxyethoxy)ethyl]-3-oxobutanoic acid ethyl ester
OPENEYE Name: ethyl 2-[2-(2-butoxyethoxy)ethyl]-3-oxo-butanoate
IUPAC Name: ethyl 2-[2-(2-butoxyethoxy)ethyl]-3-oxobutanoate
SYSTEMATIC NAME: ethyl 2-[2-(2-butoxyethoxy)ethyl]-3-oxidanylidene-butanoate
MOLECULAR FORMULA: C14H26O5
MOLECULAR WEIGHT: 274.35324
SMILES: CCCCOCCOCCC(C(=O)C)C(=O)OCC
Structure:
CAS RN: 54852-67-4
CAS Name: 2-(2-phenylcyclohexyl)oxyethanol
OPENEYE Name: 2-(2-phenylcyclohexoxy)ethanol
IUPAC Name: 2-(2-phenylcyclohexyl)oxyethanol
SYSTEMATIC NAME: 2-(2-phenylcyclohexyl)oxyethanol
MOLECULAR FORMULA: C14H20O2
MOLECULAR WEIGHT: 220.3074
SMILES: C1CCC(C(C1)C2=CC=CC=C2)OCCO
Structure:
CAS RN: 82224-53-1
CAS Name: 2-acetyloxypropanoic acid phenyl ester
OPENEYE Name: phenyl 2-acetoxypropanoate
IUPAC Name: phenyl 2-acetyloxypropanoate
SYSTEMATIC NAME: phenyl 2-acetyloxypropanoate
MOLECULAR FORMULA: C11H12O4
MOLECULAR WEIGHT: 208.21058
SMILES: CC(C(=O)OC1=CC=CC=C1)OC(=O)C
Structure:
CAS RN: 637-66-1
CAS Name: 2-hydroxypropanoic acid 2-oxolanylmethyl ester
OPENEYE Name: tetrahydrofuran-2-ylmethyl 2-hydroxypropanoate
IUPAC Name: oxolan-2-ylmethyl 2-hydroxypropanoate
SYSTEMATIC NAME: oxolan-2-ylmethyl 2-oxidanylpropanoate
MOLECULAR FORMULA: C8H14O4
MOLECULAR WEIGHT: 174.19436
SMILES: CC(C(=O)OCC1CCCO1)O
Structure:
CAS RN: 69028-44-0
CAS Name: 2-hydroxypropanoic acid 2-methylprop-2-enyl ester
OPENEYE Name: 2-methylallyl 2-hydroxypropanoate
IUPAC Name: 2-methylprop-2-enyl 2-hydroxypropanoate
SYSTEMATIC NAME: 2-methylprop-2-enyl 2-oxidanylpropanoate
MOLECULAR FORMULA: C7H12O3
MOLECULAR WEIGHT: 144.16838
SMILES: CC(C(=O)OCC(=C)C)O
Structure:
CAS RN: 7595-51-9
CAS Name: N-(6-methoxy-8-quinolinyl)-N'-(3-methylbutan-2-yl)butane-1,4-diamine
OPENEYE Name: N'-(1,2-dimethylpropyl)-N-(6-methoxy-8-quinolyl)butane-1,4-diamine
IUPAC Name: N-(6-methoxyquinolin-8-yl)-N'-(3-methylbutan-2-yl)butane-1,4-diamine
SYSTEMATIC NAME: N-(6-methoxyquinolin-8-yl)-N'-(3-methylbutan-2-yl)butane-1,4-diamine
MOLECULAR FORMULA: C19H29N3O
MOLECULAR WEIGHT: 315.45306
SMILES: CC(C)C(C)NCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2
Structure:
CAS RN: 7598-78-9
CAS Name: N-(2,2-dimethylpropyl)-N'-(6-methoxy-8-quinolinyl)butane-1,4-diamine
OPENEYE Name: N-(2,2-dimethylpropyl)-N'-(6-methoxy-8-quinolyl)butane-1,4-diamine
IUPAC Name: N-(2,2-dimethylpropyl)-N'-(6-methoxyquinolin-8-yl)butane-1,4-diamine
SYSTEMATIC NAME: N-(2,2-dimethylpropyl)-N'-(6-methoxyquinolin-8-yl)butane-1,4-diamine
MOLECULAR FORMULA: C19H29N3O
MOLECULAR WEIGHT: 315.45306
SMILES: CC(C)(C)CNCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2
Structure:
CAS RN: 7505-22-8
CAS Name: N-(2,2-dimethylpropyl)-N'-(6-methoxy-8-quinolinyl)ethane-1,2-diamine
OPENEYE Name: N-(2,2-dimethylpropyl)-N'-(6-methoxy-8-quinolyl)ethane-1,2-diamine
IUPAC Name: N-(2,2-dimethylpropyl)-N'-(6-methoxyquinolin-8-yl)ethane-1,2-diamine
SYSTEMATIC NAME: N-(2,2-dimethylpropyl)-N'-(6-methoxyquinolin-8-yl)ethane-1,2-diamine
MOLECULAR FORMULA: C17H25N3O
MOLECULAR WEIGHT: 287.3999
SMILES: CC(C)(C)CNCCNC1=C2C(=CC(=C1)OC)C=CC=N2
Structure:
CAS RN: 7505-21-7
CAS Name: 5-(4-chloroanilino)-1-(propan-2-ylamino)-2-pentanol
OPENEYE Name: 5-(4-chloroanilino)-1-(isopropylamino)pentan-2-ol
IUPAC Name: 5-(4-chloroanilino)-1-(propan-2-ylamino)pentan-2-ol
SYSTEMATIC NAME: 5-[(4-chlorophenyl)amino]-1-(propan-2-ylamino)pentan-2-ol
MOLECULAR FORMULA: C14H23ClN2O
MOLECULAR WEIGHT: 270.79822
SMILES: CC(C)NCC(CCCNC1=CC=C(C=C1)Cl)O
Structure:
CAS RN: 7510-88-5
CAS Name: N-(5,6-dimethoxy-8-quinolinyl)-N',N'-diethylhexane-1,6-diamine
OPENEYE Name: N-(5,6-dimethoxy-8-quinolyl)-N',N'-diethyl-hexane-1,6-diamine
IUPAC Name: N-(5,6-dimethoxyquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine
SYSTEMATIC NAME: N-(5,6-dimethoxyquinolin-8-yl)-N',N'-diethyl-hexane-1,6-diamine
MOLECULAR FORMULA: C21H33N3O2
MOLECULAR WEIGHT: 359.50562
SMILES: CCN(CC)CCCCCCNC1=CC(=C(C2=C1N=CC=C2)OC)OC
Structure:
CAS RN: 7510-87-4
CAS Name: N4-(7-chloro-1-phthalazinyl)-N1,N1-diethylpentane-1,4-diamine
OPENEYE Name: N4-(7-chlorophthalazin-1-yl)-N1,N1-diethyl-pentane-1,4-diamine
IUPAC Name: 4-N-(7-chlorophthalazin-1-yl)-1-N,1-N-diethylpentane-1,4-diamine
SYSTEMATIC NAME: N4-(7-chloranylphthalazin-1-yl)-N1,N1-diethyl-pentane-1,4-diamine
MOLECULAR FORMULA: C17H25ClN4
MOLECULAR WEIGHT: 320.8602
SMILES: CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=CN=N1)Cl
Structure:
CAS RN: 7597-00-4
CAS Name: 7-chloro-4-[5-(diethylamino)pentan-2-ylamino]-1H-quinolin-2-one
OPENEYE Name: 7-chloro-4-[[4-(diethylamino)-1-methyl-butyl]amino]-1H-quinolin-2-one
IUPAC Name: 7-chloro-4-[5-(diethylamino)pentan-2-ylamino]-1H-quinolin-2-one
SYSTEMATIC NAME: 7-chloranyl-4-[5-(diethylamino)pentan-2-ylamino]-1H-quinolin-2-one
MOLECULAR FORMULA: C18H26ClN3O
MOLECULAR WEIGHT: 335.87154
SMILES: CCN(CC)CCCC(C)NC1=CC(=O)NC2=C1C=CC(=C2)Cl
Structure:
CAS RN: 7510-86-3
CAS Name: 4-amino-N-(5-chloro-4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide
OPENEYE Name: 4-amino-N-(5-chloro-4,6-dimethyl-pyrimidin-2-yl)benzenesulfonamide
IUPAC Name: 4-amino-N-(5-chloro-4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
SYSTEMATIC NAME: 4-azanyl-N-(5-chloranyl-4,6-dimethyl-pyrimidin-2-yl)benzenesulfonamide
MOLECULAR FORMULA: C12H13ClN4O2S
MOLECULAR WEIGHT: 312.77522
SMILES: CC1=C(C(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N)C)Cl
Structure:
CAS RN: 115281-07-7
CAS Name: 4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
OPENEYE Name: N,N-diisobutyl-4-methyl-benzenesulfonamide
IUPAC Name: 4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
SYSTEMATIC NAME: 4-methyl-N,N-bis(2-methylpropyl)benzenesulfonamide
MOLECULAR FORMULA: C15H25NO2S
MOLECULAR WEIGHT: 283.4295
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC(C)C)CC(C)C
Structure:
CAS RN: 20049-84-7
CAS Name: 1-anilino-3-(2-methylphenyl)urea
OPENEYE Name: 1-anilino-3-(o-tolyl)urea
IUPAC Name: 1-anilino-3-(2-methylphenyl)urea
SYSTEMATIC NAME: 1-(2-methylphenyl)-3-phenylazanyl-urea
MOLECULAR FORMULA: C14H15N3O
MOLECULAR WEIGHT: 241.2884
SMILES: CC1=CC=CC=C1NC(=O)NNC2=CC=CC=C2
Structure:
CAS RN: 10354-48-0
CAS Name: N-(phenylmethyl)-2-furancarboxamide
OPENEYE Name: N-benzylfuran-2-carboxamide
IUPAC Name: N-benzylfuran-2-carboxamide
SYSTEMATIC NAME: N-(phenylmethyl)furan-2-carboxamide
MOLECULAR FORMULA: C12H11NO2
MOLECULAR WEIGHT: 201.22124
SMILES: C1=CC=C(C=C1)CNC(=O)C2=CC=CO2
Structure:
CAS RN: 32113-35-2
CAS Name: propanoic acid (2,4-dinitrophenyl) ester
OPENEYE Name: (2,4-dinitrophenyl) propanoate
IUPAC Name: (2,4-dinitrophenyl) propanoate
SYSTEMATIC NAME: (2,4-dinitrophenyl) propanoate
MOLECULAR FORMULA: C9H8N2O6
MOLECULAR WEIGHT: 240.16962
SMILES: CCC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 7575-74-8
CAS Name: [1-(4-chlorophenyl)ethylideneamino]urea
OPENEYE Name: [1-(4-chlorophenyl)ethylideneamino]urea
IUPAC Name: [1-(4-chlorophenyl)ethylideneamino]urea
SYSTEMATIC NAME: 1-[1-(4-chlorophenyl)ethylideneamino]urea
MOLECULAR FORMULA: C9H10ClN3O
MOLECULAR WEIGHT: 211.6482
SMILES: CC(=NNC(=O)N)C1=CC=C(C=C1)Cl
Structure:
CAS RN: 29027-13-2
CAS Name: 2-methoxy-1-methyl-3,5-dinitrobenzene
OPENEYE Name: 2-methoxy-1-methyl-3,5-dinitro-benzene
IUPAC Name: 2-methoxy-1-methyl-3,5-dinitrobenzene
SYSTEMATIC NAME: 2-methoxy-1-methyl-3,5-dinitro-benzene
MOLECULAR FORMULA: C8H8N2O5
MOLECULAR WEIGHT: 212.15952
SMILES: CC1=CC(=CC(=C1OC)[N+](=O)[O-])[N+](=O)[O-]
Structure:
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