CAS RN: 603-85-0
CAS Name: 2-amino-3-nitrophenol
OPENEYE Name: 2-amino-3-nitro-phenol
IUPAC Name: 2-amino-3-nitrophenol
SYSTEMATIC NAME: 2-azanyl-3-nitro-phenol
MOLECULAR FORMULA: C6H6N2O3
MOLECULAR WEIGHT: 154.12344
SMILES: C1=CC(=C(C(=C1)O)N)[N+](=O)[O-]
Structure:
CAS RN: 14607-16-0
CAS Name: 1-(9-anthracenyl)-N-(4-methoxyphenyl)methanimine
OPENEYE Name: 1-(9-anthryl)-N-(4-methoxyphenyl)methanimine
IUPAC Name: 1-anthracen-9-yl-N-(4-methoxyphenyl)methanimine
SYSTEMATIC NAME: 1-anthracen-9-yl-N-(4-methoxyphenyl)methanimine
MOLECULAR FORMULA: C22H17NO
MOLECULAR WEIGHT: 311.37648
SMILES: COC1=CC=C(C=C1)N=CC2=C3C=CC=CC3=CC4=CC=CC=C42
Structure:
CAS RN: 183483-09-2
CAS Name: 2-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-piperidinyl]acetic acid
OPENEYE Name: 2-(1-tert-butoxycarbonyl-3-piperidyl)acetic acid
IUPAC Name: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
SYSTEMATIC NAME: 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]ethanoic acid
MOLECULAR FORMULA: C12H21NO4
MOLECULAR WEIGHT: 243.29944
SMILES: CC(C)(C)OC(=O)N1CCCC(C1)CC(=O)O
Structure:
CAS RN: 6075-35-0
CAS Name: 2-(4-bromophenyl)-N-[3-(4-morpholinyl)propyl]-4-quinazolinamine
OPENEYE Name: 2-(4-bromophenyl)-N-(3-morpholinopropyl)quinazolin-4-amine
IUPAC Name: 2-(4-bromophenyl)-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
SYSTEMATIC NAME: 2-(4-bromophenyl)-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
MOLECULAR FORMULA: C21H23BrN4O
MOLECULAR WEIGHT: 427.33752
SMILES: C1COCCN1CCCNC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Br
Structure:
CAS RN: 83797-56-2
CAS Name: 4-[(3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f][1]benzopyran-5-yl)oxy]-4-oxobutanoic acid
OPENEYE Name: 4-[(6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl)oxy]-4-oxo-butanoic acid
IUPAC Name: 4-[(3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl)oxy]-4-oxobutanoic acid
SYSTEMATIC NAME: 4-[[3-ethenyl-3,4a,7,7,10a-pentamethyl-6,10,10b-tris(oxidanyl)-1-oxidanylidene-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-5-yl]oxy]-4-oxidanylidene-butanoic acid
MOLECULAR FORMULA: C24H36O9
MOLECULAR WEIGHT: 468.53724
SMILES: CC1(CCC(C2(C1C(C(C3(C2(C(=O)CC(O3)(C)C=C)O)C)OC(=O)CCC(=O)O)O)C)O)C
Structure:
CAS RN: 72057-18-2
CAS Name: 3-pyrrolidinecarboxylic acid methyl ester
OPENEYE Name: methyl pyrrolidine-3-carboxylate
IUPAC Name: methyl pyrrolidine-3-carboxylate
SYSTEMATIC NAME: methyl pyrrolidine-3-carboxylate
MOLECULAR FORMULA: C6H11NO2
MOLECULAR WEIGHT: 129.15704
SMILES: COC(=O)C1CCNC1
Structure:
CAS RN: 292606-35-0
CAS Name: N-(3-amino-2,2-dimethylpropyl)carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-(3-amino-2,2-dimethyl-propyl)carbamate
IUPAC Name: tert-butyl N-(3-amino-2,2-dimethylpropyl)carbamate
SYSTEMATIC NAME: tert-butyl N-(3-azanyl-2,2-dimethyl-propyl)carbamate
MOLECULAR FORMULA: C10H22N2O2
MOLECULAR WEIGHT: 202.29388
SMILES: CC(C)(C)OC(=O)NCC(C)(C)CN
Structure:
CAS RN: 54453-91-7
CAS Name: 2-bromo-4-ethylpyridine
OPENEYE Name: 2-bromo-4-ethyl-pyridine
IUPAC Name: 2-bromo-4-ethylpyridine
SYSTEMATIC NAME: 2-bromanyl-4-ethyl-pyridine
MOLECULAR FORMULA: C7H8BrN
MOLECULAR WEIGHT: 186.04912
SMILES: CCC1=CC(=NC=C1)Br
Structure:
CAS RN: 50402-70-5
CAS Name: sodium 2-methoxyacetate
OPENEYE Name: sodium 2-methoxyacetate
IUPAC Name: sodium 2-methoxyacetate
SYSTEMATIC NAME: sodium 2-methoxyethanoate
MOLECULAR FORMULA: C3H5NaO3
MOLECULAR WEIGHT: 112.05977
SMILES: COCC(=O)[O-].[Na+]
Structure:
CAS RN: 118-04-7
CAS Name: 2-[(3-amino-4-chlorophenyl)-oxomethyl]benzoate
OPENEYE Name: 2-(3-amino-4-chloro-benzoyl)benzoate
IUPAC Name: 2-(3-amino-4-chlorobenzoyl)benzoate
SYSTEMATIC NAME: 2-(3-azanyl-4-chloranyl-phenyl)carbonylbenzoate
MOLECULAR FORMULA: C14H9ClNO3-
MOLECULAR WEIGHT: 274.67916
SMILES: C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)Cl)N)C(=O)[O-]
Structure:
CAS RN: 34403-52-6
CAS Name: [4-(dimethylamino)phenyl]methylammonium
OPENEYE Name: [4-(dimethylamino)phenyl]methylammonium
IUPAC Name: [4-(dimethylamino)phenyl]methylazanium
SYSTEMATIC NAME: [4-(dimethylamino)phenyl]methylazanium
MOLECULAR FORMULA: C9H15N2+
MOLECULAR WEIGHT: 151.2288
SMILES: CN(C)C1=CC=C(C=C1)C[NH3+]
Structure:
CAS RN: 41470-19-3
CAS Name: 1-hydrazinyl-2-butanol
OPENEYE Name: 1-hydrazinobutan-2-ol
IUPAC Name: 1-hydrazinylbutan-2-ol
SYSTEMATIC NAME: 1-diazanylbutan-2-ol
MOLECULAR FORMULA: C4H12N2O
MOLECULAR WEIGHT: 104.15088
SMILES: CCC(CNN)O
Structure:
CAS RN: 4227-99-0
CAS Name: dodecanoic acid 1-naphthalenyl ester
OPENEYE Name: 1-naphthyl dodecanoate
IUPAC Name: naphthalen-1-yl dodecanoate
SYSTEMATIC NAME: naphthalen-1-yl dodecanoate
MOLECULAR FORMULA: C22H30O2
MOLECULAR WEIGHT: 326.4724
SMILES: CCCCCCCCCCCC(=O)OC1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 7699-38-9
CAS Name: N-[2-[[5-acetamido-6-[[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3-oxanyl]oxy]-4-hydroxy-2-(hydroxymethyl)-3-oxanyl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide
OPENEYE Name: N-[2-[5-acetamido-6-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)tetrahydropyran-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
IUPAC Name: N-[2-[5-acetamido-6-[5-acetamido-4-hydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SYSTEMATIC NAME: N-[2-[5-acetamido-6-[5-acetamido-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-oxidanyl-oxan-3-yl]oxy-2-(hydroxymethyl)-4-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
MOLECULAR FORMULA: C30H44N4O18
MOLECULAR WEIGHT: 748.68636
SMILES: CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)NC(=O)C)OC3C(OC(C(C3O)NC(=O)C)OC4=CC=C(C=C4)[N+](=O)[O-])CO)CO)CO)O)O
Structure:
CAS RN: 131172-59-3
CAS Name: 5-(4-methylphenyl)-1H-pyrrole-2-carboxylate
OPENEYE Name: 5-(p-tolyl)-1H-pyrrole-2-carboxylate
IUPAC Name: 5-(4-methylphenyl)-1H-pyrrole-2-carboxylate
SYSTEMATIC NAME: 5-(4-methylphenyl)-1H-pyrrole-2-carboxylate
MOLECULAR FORMULA: C12H10NO2-
MOLECULAR WEIGHT: 200.2133
SMILES: CC1=CC=C(C=C1)C2=CC=C(N2)C(=O)[O-]
Structure:
CAS RN: 31648-54-1
CAS Name: N-(3-piperidinyl)carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-(3-piperidyl)carbamate
IUPAC Name: benzyl N-piperidin-3-ylcarbamate
SYSTEMATIC NAME: (phenylmethyl) N-piperidin-3-ylcarbamate
MOLECULAR FORMULA: C13H18N2O2
MOLECULAR WEIGHT: 234.29422
SMILES: C1CC(CNC1)NC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 478646-32-1
CAS Name: N-(3-piperidinyl)carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-(3-piperidyl)carbamate
IUPAC Name: benzyl N-piperidin-3-ylcarbamate
SYSTEMATIC NAME: (phenylmethyl) N-piperidin-3-ylcarbamate
MOLECULAR FORMULA: C13H18N2O2
MOLECULAR WEIGHT: 234.29422
SMILES: C1CC(CNC1)NC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 478646-33-2
CAS Name: N-(3-piperidinyl)carbamic acid (phenylmethyl) ester
OPENEYE Name: benzyl N-(3-piperidyl)carbamate
IUPAC Name: benzyl N-piperidin-3-ylcarbamate
SYSTEMATIC NAME: (phenylmethyl) N-piperidin-3-ylcarbamate
MOLECULAR FORMULA: C13H18N2O2
MOLECULAR WEIGHT: 234.29422
SMILES: C1CC(CNC1)NC(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 15785-26-9
CAS Name: 2-amino-2-cyclopropylacetic acid
OPENEYE Name: 2-amino-2-cyclopropyl-acetic acid
IUPAC Name: 2-amino-2-cyclopropylacetic acid
SYSTEMATIC NAME: 2-azanyl-2-cyclopropyl-ethanoic acid
MOLECULAR FORMULA: C5H9NO2
MOLECULAR WEIGHT: 115.13046
SMILES: C1CC1C(C(=O)O)N
Structure:
CAS RN: 102561-47-7
CAS Name: 4-isocyanatobenzoic acid butyl ester
OPENEYE Name: butyl 4-isocyanatobenzoate
IUPAC Name: butyl 4-isocyanatobenzoate
SYSTEMATIC NAME: butyl 4-isocyanatobenzoate
MOLECULAR FORMULA: C12H13NO3
MOLECULAR WEIGHT: 219.23652
SMILES: CCCCOC(=O)C1=CC=C(C=C1)N=C=O
Structure:
CAS RN: 92333-25-0
CAS Name: 2-pyridin-4-ylacetonitrile
OPENEYE Name: 2-(4-pyridyl)acetonitrile
IUPAC Name: 2-pyridin-4-ylacetonitrile
SYSTEMATIC NAME: 2-pyridin-4-ylethanenitrile
MOLECULAR FORMULA: C7H6N2
MOLECULAR WEIGHT: 118.13594
SMILES: C1=CN=CC=C1CC#N
Structure:
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