CAS RN: 20306-23-4
CAS Name: 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid [1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl] ester
OPENEYE Name: [1-(1,3-benzodioxol-5-yl)-2,2-dimethyl-propyl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
IUPAC Name: [1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropyl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SYSTEMATIC NAME: [1-(1,3-benzodioxol-5-yl)-2,2-dimethyl-propyl] 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
MOLECULAR FORMULA: C22H30O4
MOLECULAR WEIGHT: 358.4712
SMILES: CC(=CC1C(C1(C)C)C(=O)OC(C2=CC3=C(C=C2)OCO3)C(C)(C)C)C
Structure:
CAS RN: 42991-55-9
CAS Name: 2,2-bis(4-chlorophenyl)acetic acid butyl ester
OPENEYE Name: butyl 2,2-bis(4-chlorophenyl)acetate
IUPAC Name: butyl 2,2-bis(4-chlorophenyl)acetate
SYSTEMATIC NAME: butyl 2,2-bis(4-chlorophenyl)ethanoate
MOLECULAR FORMULA: C18H18Cl2O2
MOLECULAR WEIGHT: 337.24032
SMILES: CCCCOC(=O)C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 18369-08-9
CAS Name: 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid (2-methylcyclohexyl) ester
OPENEYE Name: (2-methylcyclohexyl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
IUPAC Name: (2-methylcyclohexyl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SYSTEMATIC NAME: (2-methylcyclohexyl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
MOLECULAR FORMULA: C17H28O2
MOLECULAR WEIGHT: 264.40302
SMILES: CC1CCCCC1OC(=O)C2C(C2(C)C)C=C(C)C
Structure:
CAS RN: 28900-62-1
CAS Name: 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
IUPAC Name: benzyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
MOLECULAR FORMULA: C17H22O2
MOLECULAR WEIGHT: 258.35538
SMILES: CC(=CC1C(C1(C)C)C(=O)OCC2=CC=CC=C2)C
Structure:
CAS RN: 18369-07-8
CAS Name: 2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid cyclohexyl ester
OPENEYE Name: cyclohexyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
IUPAC Name: cyclohexyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
SYSTEMATIC NAME: cyclohexyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
MOLECULAR FORMULA: C16H26O2
MOLECULAR WEIGHT: 250.37644
SMILES: CC(=CC1C(C1(C)C)C(=O)OC2CCCCC2)C
Structure:
CAS RN: 23145-59-7
CAS Name: 2-[(3,4-dimethoxyphenyl)methylideneamino]benzoic acid
OPENEYE Name: 2-[(3,4-dimethoxyphenyl)methyleneamino]benzoic acid
IUPAC Name: 2-[(3,4-dimethoxyphenyl)methylideneamino]benzoic acid
SYSTEMATIC NAME: 2-[(3,4-dimethoxyphenyl)methylideneamino]benzoic acid
MOLECULAR FORMULA: C16H15NO4
MOLECULAR WEIGHT: 285.2946
SMILES: COC1=C(C=C(C=C1)C=NC2=CC=CC=C2C(=O)O)OC
Structure:
CAS RN: 4906-27-8
CAS Name: 4-butoxybenzoic acid butyl ester
OPENEYE Name: butyl 4-butoxybenzoate
IUPAC Name: butyl 4-butoxybenzoate
SYSTEMATIC NAME: butyl 4-butoxybenzoate
MOLECULAR FORMULA: C15H22O3
MOLECULAR WEIGHT: 250.33338
SMILES: CCCCOC1=CC=C(C=C1)C(=O)OCCCC
Structure:
CAS RN: 22774-15-8
CAS Name: 3-[(4-methoxyphenyl)methylideneamino]benzoic acid
OPENEYE Name: 3-[(4-methoxyphenyl)methyleneamino]benzoic acid
IUPAC Name: 3-[(4-methoxyphenyl)methylideneamino]benzoic acid
SYSTEMATIC NAME: 3-[(4-methoxyphenyl)methylideneamino]benzoic acid
MOLECULAR FORMULA: C15H13NO3
MOLECULAR WEIGHT: 255.26862
SMILES: COC1=CC=C(C=C1)C=NC2=CC=CC(=C2)C(=O)O
Structure:
CAS RN: 5305-23-7
CAS Name: 3-[(4-methoxyphenyl)methylideneamino]benzoic acid
OPENEYE Name: 3-[(4-methoxyphenyl)methyleneamino]benzoic acid
IUPAC Name: 3-[(4-methoxyphenyl)methylideneamino]benzoic acid
SYSTEMATIC NAME: 3-[(4-methoxyphenyl)methylideneamino]benzoic acid
MOLECULAR FORMULA: C15H13NO3
MOLECULAR WEIGHT: 255.26862
SMILES: COC1=CC=C(C=C1)C=NC2=CC=CC(=C2)C(=O)O
Structure:
CAS RN: 5359-38-6
CAS Name: 2,2-bis(4-chlorophenyl)acetic acid methyl ester
OPENEYE Name: methyl 2,2-bis(4-chlorophenyl)acetate
IUPAC Name: methyl 2,2-bis(4-chlorophenyl)acetate
SYSTEMATIC NAME: methyl 2,2-bis(4-chlorophenyl)ethanoate
MOLECULAR FORMULA: C15H12Cl2O2
MOLECULAR WEIGHT: 295.16058
SMILES: COC(=O)C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 63098-83-9
CAS Name: 2-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid
OPENEYE Name: 2-(1,3-benzodioxol-5-ylmethyleneamino)benzoic acid
IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid
SYSTEMATIC NAME: 2-(1,3-benzodioxol-5-ylmethylideneamino)benzoic acid
MOLECULAR FORMULA: C15H11NO4
MOLECULAR WEIGHT: 269.25214
SMILES: C1OC2=C(O1)C=C(C=C2)C=NC3=CC=CC=C3C(=O)O
Structure:
CAS RN: 68756-65-0
CAS Name: 2-hydroxy-2-phenylacetic acid cyclohexyl ester
OPENEYE Name: cyclohexyl 2-hydroxy-2-phenyl-acetate
IUPAC Name: cyclohexyl 2-hydroxy-2-phenylacetate
SYSTEMATIC NAME: cyclohexyl 2-oxidanyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C14H18O3
MOLECULAR WEIGHT: 234.29092
SMILES: C1CCC(CC1)OC(=O)C(C2=CC=CC=C2)O
Structure:
CAS RN: 42027-64-5
CAS Name: 2-[(4-nitrophenyl)methylideneamino]benzoic acid
OPENEYE Name: 2-[(4-nitrophenyl)methyleneamino]benzoic acid
IUPAC Name: 2-[(4-nitrophenyl)methylideneamino]benzoic acid
SYSTEMATIC NAME: 2-[(4-nitrophenyl)methylideneamino]benzoic acid
MOLECULAR FORMULA: C14H10N2O4
MOLECULAR WEIGHT: 270.2402
SMILES: C1=CC=C(C(=C1)C(=O)O)N=CC2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 42027-58-7
CAS Name: 2-[(3-nitrophenyl)methylideneamino]benzoic acid
OPENEYE Name: 2-[(3-nitrophenyl)methyleneamino]benzoic acid
IUPAC Name: 2-[(3-nitrophenyl)methylideneamino]benzoic acid
SYSTEMATIC NAME: 2-[(3-nitrophenyl)methylideneamino]benzoic acid
MOLECULAR FORMULA: C14H10N2O4
MOLECULAR WEIGHT: 270.2402
SMILES: C1=CC=C(C(=C1)C(=O)O)N=CC2=CC(=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 63002-97-1
CAS Name: 2-[(2-nitrophenyl)methylideneamino]benzoic acid
OPENEYE Name: 2-[(2-nitrophenyl)methyleneamino]benzoic acid
IUPAC Name: 2-[(2-nitrophenyl)methylideneamino]benzoic acid
SYSTEMATIC NAME: 2-[(2-nitrophenyl)methylideneamino]benzoic acid
MOLECULAR FORMULA: C14H10N2O4
MOLECULAR WEIGHT: 270.2402
SMILES: C1=CC=C(C(=C1)C=NC2=CC=CC=C2C(=O)O)[N+](=O)[O-]
Structure:
CAS RN: 42027-43-0
CAS Name: 2-[(4-chlorophenyl)methylideneamino]benzoic acid
OPENEYE Name: 2-[(4-chlorophenyl)methyleneamino]benzoic acid
IUPAC Name: 2-[(4-chlorophenyl)methylideneamino]benzoic acid
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methylideneamino]benzoic acid
MOLECULAR FORMULA: C14H10ClNO2
MOLECULAR WEIGHT: 259.6877
SMILES: C1=CC=C(C(=C1)C(=O)O)N=CC2=CC=C(C=C2)Cl
Structure:
CAS RN: 42027-37-2
CAS Name: 2-[(2-chlorophenyl)methylideneamino]benzoic acid
OPENEYE Name: 2-[(2-chlorophenyl)methyleneamino]benzoic acid
IUPAC Name: 2-[(2-chlorophenyl)methylideneamino]benzoic acid
SYSTEMATIC NAME: 2-[(2-chlorophenyl)methylideneamino]benzoic acid
MOLECULAR FORMULA: C14H10ClNO2
MOLECULAR WEIGHT: 259.6877
SMILES: C1=CC=C(C(=C1)C=NC2=CC=CC=C2C(=O)O)Cl
Structure:
CAS RN: 67272-97-3
CAS Name: 4-ethoxy-N,N-diethylbenzamide
OPENEYE Name: 4-ethoxy-N,N-diethyl-benzamide
IUPAC Name: 4-ethoxy-N,N-diethylbenzamide
SYSTEMATIC NAME: 4-ethoxy-N,N-diethyl-benzamide
MOLECULAR FORMULA: C13H19NO2
MOLECULAR WEIGHT: 221.29546
SMILES: CCN(CC)C(=O)C1=CC=C(C=C1)OCC
Structure:
CAS RN: 607-60-3
CAS Name: N-propyl-1-naphthalenamine
OPENEYE Name: N-propylnaphthalen-1-amine
IUPAC Name: N-propylnaphthalen-1-amine
SYSTEMATIC NAME: N-propylnaphthalen-1-amine
MOLECULAR FORMULA: C13H15N
MOLECULAR WEIGHT: 185.2649
SMILES: CCCNC1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 53847-36-2
CAS Name: 1-(2-methoxyphenyl)-2,2-dimethyl-1-propanol
OPENEYE Name: 1-(2-methoxyphenyl)-2,2-dimethyl-propan-1-ol
IUPAC Name: 1-(2-methoxyphenyl)-2,2-dimethylpropan-1-ol
SYSTEMATIC NAME: 1-(2-methoxyphenyl)-2,2-dimethyl-propan-1-ol
MOLECULAR FORMULA: C12H18O2
MOLECULAR WEIGHT: 194.27012
SMILES: CC(C)(C)C(C1=CC=CC=C1OC)O
Structure:
CAS RN: 51674-10-3
CAS Name: N,N-diethyl-2-methoxybenzamide
OPENEYE Name: N,N-diethyl-2-methoxy-benzamide
IUPAC Name: N,N-diethyl-2-methoxybenzamide
SYSTEMATIC NAME: N,N-diethyl-2-methoxy-benzamide
MOLECULAR FORMULA: C12H17NO2
MOLECULAR WEIGHT: 207.26888
SMILES: CCN(CC)C(=O)C1=CC=CC=C1OC
Structure:
CAS RN: 66267-66-1
CAS Name: 2-hydroxy-2-phenylacetic acid 2-ethoxyethyl ester
OPENEYE Name: 2-ethoxyethyl 2-hydroxy-2-phenyl-acetate
IUPAC Name: 2-ethoxyethyl 2-hydroxy-2-phenylacetate
SYSTEMATIC NAME: 2-ethoxyethyl 2-oxidanyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C12H16O4
MOLECULAR WEIGHT: 224.25304
SMILES: CCOCCOC(=O)C(C1=CC=CC=C1)O
Structure:
CAS RN: 6412-96-0
CAS Name: 1-(1,3-benzodioxol-5-yl)-2,2-dimethyl-1-propanol
OPENEYE Name: 1-(1,3-benzodioxol-5-yl)-2,2-dimethyl-propan-1-ol
IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2,2-dimethylpropan-1-ol
SYSTEMATIC NAME: 1-(1,3-benzodioxol-5-yl)-2,2-dimethyl-propan-1-ol
MOLECULAR FORMULA: C12H16O3
MOLECULAR WEIGHT: 208.25364
SMILES: CC(C)(C)C(C1=CC2=C(C=C1)OCO2)O
Structure:
CAS RN: 7497-00-9
CAS Name: 2-(2,2,3-trichlorobutylideneamino)benzoic acid methyl ester
OPENEYE Name: methyl 2-(2,2,3-trichlorobutylideneamino)benzoate
IUPAC Name: methyl 2-(2,2,3-trichlorobutylideneamino)benzoate
SYSTEMATIC NAME: methyl 2-[2,2,3-tris(chloranyl)butylideneamino]benzoate
MOLECULAR FORMULA: C12H12Cl3NO2
MOLECULAR WEIGHT: 308.58818
SMILES: CC(C(C=NC1=CC=CC=C1C(=O)OC)(Cl)Cl)Cl
Structure:
CAS RN: 20309-56-2
CAS Name: 2-hydroxy-2-phenylacetic acid 2-methoxyethyl ester
OPENEYE Name: 2-methoxyethyl 2-hydroxy-2-phenyl-acetate
IUPAC Name: 2-methoxyethyl 2-hydroxy-2-phenylacetate
SYSTEMATIC NAME: 2-methoxyethyl 2-oxidanyl-2-phenyl-ethanoate
MOLECULAR FORMULA: C11H14O4
MOLECULAR WEIGHT: 210.22646
SMILES: COCCOC(=O)C(C1=CC=CC=C1)O
Structure:
CAS RN: 59044-05-2
CAS Name: 1,1-di(propan-2-yloxy)-2-propanone
OPENEYE Name: 1,1-diisopropoxypropan-2-one
IUPAC Name: 1,1-di(propan-2-yloxy)propan-2-one
SYSTEMATIC NAME: 1,1-di(propan-2-yloxy)propan-2-one
MOLECULAR FORMULA: C9H18O3
MOLECULAR WEIGHT: 174.23742
SMILES: CC(C)OC(C(=O)C)OC(C)C
Structure:
CAS RN: 59237-53-5
CAS Name: 6-chloro-5-nitro-3-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 6-chloro-5-nitro-pyridine-3-carboxylate
IUPAC Name: methyl 6-chloro-5-nitropyridine-3-carboxylate
SYSTEMATIC NAME: methyl 6-chloranyl-5-nitro-pyridine-3-carboxylate
MOLECULAR FORMULA: C7H5ClN2O4
MOLECULAR WEIGHT: 216.5786
SMILES: COC(=O)C1=CC(=C(N=C1)Cl)[N+](=O)[O-]
Structure:
CAS RN: 7496-96-0
CAS Name: phenanthro[1,2-b]indolizine
OPENEYE Name: phenanthro[1,2-b]indolizine
IUPAC Name: phenanthro[1,2-b]indolizine
SYSTEMATIC NAME: phenanthro[1,2-b]indolizine
MOLECULAR FORMULA: C20H13N
MOLECULAR WEIGHT: 267.32392
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=C5N4C=CC=C5
Structure:
CAS RN: 7504-21-4
CAS Name: 8-phenylacenaphthyleno[1,2-d]thiazole
OPENEYE Name: 8-phenylacenaphthyleno[1,2-d]thiazole
IUPAC Name: 8-phenylacenaphthyleno[1,2-d][1,3]thiazole
SYSTEMATIC NAME: 8-phenylacenaphthyleno[1,2-d][1,3]thiazole
MOLECULAR FORMULA: C19H11NS
MOLECULAR WEIGHT: 285.36234
SMILES: C1=CC=C(C=C1)C2=NC3=C(S2)C4=CC=CC5=C4C3=CC=C5
Structure:
CAS RN: 7496-94-8
CAS Name: 2-phenylpyrrolo[1,2-b]isoquinoline
OPENEYE Name: 2-phenylpyrrolo[1,2-b]isoquinoline
IUPAC Name: 2-phenylpyrrolo[1,2-b]isoquinoline
SYSTEMATIC NAME: 2-phenylpyrrolo[1,2-b]isoquinoline
MOLECULAR FORMULA: C18H13N
MOLECULAR WEIGHT: 243.30252
SMILES: C1=CC=C(C=C1)C2=CN3C=C4C=CC=CC4=CC3=C2
Structure:
CAS RN: 7496-93-7
CAS Name: 2-phenylpyrrolo[2,1-a]isoquinoline
OPENEYE Name: 2-phenylpyrrolo[2,1-a]isoquinoline
IUPAC Name: 2-phenylpyrrolo[2,1-a]isoquinoline
SYSTEMATIC NAME: 2-phenylpyrrolo[2,1-a]isoquinoline
MOLECULAR FORMULA: C18H13N
MOLECULAR WEIGHT: 243.30252
SMILES: C1=CC=C(C=C1)C2=CN3C=CC4=CC=CC=C4C3=C2
Structure:
CAS RN: 7496-89-1
CAS Name: N-(4,5-diphenyl-2-selenazolyl)acetamide
OPENEYE Name: N-(4,5-diphenyl-1,3-selenazol-2-yl)acetamide
IUPAC Name: N-(4,5-diphenyl-1,3-selenazol-2-yl)acetamide
SYSTEMATIC NAME: N-(4,5-diphenyl-1,3-selenazol-2-yl)ethanamide
MOLECULAR FORMULA: C17H14N2OSe
MOLECULAR WEIGHT: 341.26586
SMILES: CC(=O)NC1=NC(=C([Se]1)C2=CC=CC=C2)C3=CC=CC=C3
Structure:
CAS RN: 238-96-0
CAS Name: naphtho[1,2-b]indolizine
OPENEYE Name: naphtho[1,2-b]indolizine
IUPAC Name: naphtho[1,2-b]indolizine
SYSTEMATIC NAME: naphtho[1,2-b]indolizine
MOLECULAR FORMULA: C16H11N
MOLECULAR WEIGHT: 217.26524
SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C4N3C=CC=C4
Structure:
CAS RN: 1237-49-6
CAS Name: N-[1-(4-methylphenyl)ethylideneamino]-2,4-dinitroaniline
OPENEYE Name: 2,4-dinitro-N-[1-(p-tolyl)ethylideneamino]aniline
IUPAC Name: N-[1-(4-methylphenyl)ethylideneamino]-2,4-dinitroaniline
SYSTEMATIC NAME: N-[1-(4-methylphenyl)ethylideneamino]-2,4-dinitro-aniline
MOLECULAR FORMULA: C15H14N4O4
MOLECULAR WEIGHT: 314.29606
SMILES: CC1=CC=C(C=C1)C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C
Structure:
CAS RN: 7496-82-4
CAS Name: 2-(4-methoxyphenyl)indolizine
OPENEYE Name: 2-(4-methoxyphenyl)indolizine
IUPAC Name: 2-(4-methoxyphenyl)indolizine
SYSTEMATIC NAME: 2-(4-methoxyphenyl)indolizine
MOLECULAR FORMULA: C15H13NO
MOLECULAR WEIGHT: 223.26982
SMILES: COC1=CC=C(C=C1)C2=CN3C=CC=CC3=C2
Structure:
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