CAS RN: 131-03-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26N2O3
MOLECULAR WEIGHT: 354.44274
SMILES: COC(=O)[C@@H]1[C@H](CC[C@H]2[C@@H]1C[C@H]3C4=C(CCN3C2)C5=CC=CC=C5N4)O
Structure:
CAS RN: 60402-30-4
CAS Name: 2-(4-chlorophenyl)-6-methyl-1-benzopyran-4-one
OPENEYE Name: 2-(4-chlorophenyl)-6-methyl-chromen-4-one
IUPAC Name: 2-(4-chlorophenyl)-6-methylchromen-4-one
SYSTEMATIC NAME: 2-(4-chlorophenyl)-6-methyl-chromen-4-one
MOLECULAR FORMULA: C16H11ClO2
MOLECULAR WEIGHT: 270.71034
SMILES: CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 4485-08-9
CAS Name: 1-nitro-4-nitrosobenzene
OPENEYE Name: 1-nitro-4-nitroso-benzene
IUPAC Name: 1-nitro-4-nitrosobenzene
SYSTEMATIC NAME: 1-nitro-4-nitroso-benzene
MOLECULAR FORMULA: C6H4N2O3
MOLECULAR WEIGHT: 152.10756
SMILES: C1=CC(=CC=C1N=O)[N+](=O)[O-]
Structure:
CAS RN: 313057-04-4
CAS Name: (2S,3R,4aR,9aR)-7-[(E)-2-[3,5-dihydroxy-4-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol
OPENEYE Name: (2S,3R,4aR,9aR)-7-[(E)-2-[3,5-dihydroxy-4-[(E)-7-hydroxy-3,7-dimethyl-oct-2-enyl]phenyl]vinyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol
IUPAC Name: (2S,3R,4aR,9aR)-7-[(E)-2-[3,5-dihydroxy-4-[(E)-7-hydroxy-3,7-dimethyloct-2-enyl]phenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol
SYSTEMATIC NAME: (2S,3R,4aR,9aR)-7-[(E)-2-[4-[(E)-3,7-dimethyl-7-oxidanyl-oct-2-enyl]-3,5-bis(oxidanyl)phenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol
MOLECULAR FORMULA: C35H48O7
MOLECULAR WEIGHT: 580.75142
SMILES: C/C(=C\CC1=C(C=C(C=C1O)/C=C/C2=CC3=C(C(=C2)OC)O[C@@]4(C[C@H]([C@H](C([C@H]4C3)(C)C)O)O)C)O)/CCCC(C)(C)O
Structure:
CAS RN: 3916-64-1
CAS Name: (3E,5E)-2-hepta-3,5-dienone
OPENEYE Name: (3E,5E)-hepta-3,5-dien-2-one
IUPAC Name: (3E,5E)-hepta-3,5-dien-2-one
SYSTEMATIC NAME: (3E,5E)-hepta-3,5-dien-2-one
MOLECULAR FORMULA: C7H10O
MOLECULAR WEIGHT: 110.1537
SMILES: C/C=C/C=C/C(=O)C
Structure:
CAS RN: 88374-25-8
CAS Name: N-ethyl-2-methyl-4-nitroaniline
OPENEYE Name: N-ethyl-2-methyl-4-nitro-aniline
IUPAC Name: N-ethyl-2-methyl-4-nitroaniline
SYSTEMATIC NAME: N-ethyl-2-methyl-4-nitro-aniline
MOLECULAR FORMULA: C9H12N2O2
MOLECULAR WEIGHT: 180.20378
SMILES: CCNC1=C(C=C(C=C1)[N+](=O)[O-])C
Structure:
CAS RN: 50741-92-9
CAS Name: 1-methoxy-2-methyl-4-nitrobenzene
OPENEYE Name: 1-methoxy-2-methyl-4-nitro-benzene
IUPAC Name: 1-methoxy-2-methyl-4-nitrobenzene
SYSTEMATIC NAME: 1-methoxy-2-methyl-4-nitro-benzene
MOLECULAR FORMULA: C8H9NO3
MOLECULAR WEIGHT: 167.16196
SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])OC
Structure:
CAS RN: 86771-76-8
CAS Name: 1-methoxy-2-methyl-4-nitrobenzene
OPENEYE Name: 1-methoxy-2-methyl-4-nitro-benzene
IUPAC Name: 1-methoxy-2-methyl-4-nitrobenzene
SYSTEMATIC NAME: 1-methoxy-2-methyl-4-nitro-benzene
MOLECULAR FORMULA: C8H9NO3
MOLECULAR WEIGHT: 167.16196
SMILES: CC1=C(C=CC(=C1)[N+](=O)[O-])OC
Structure:
CAS RN: 103698-10-8
CAS Name: 3-nitro-4-pyridinecarboxylic acid methyl ester
OPENEYE Name: methyl 3-nitropyridine-4-carboxylate
IUPAC Name: methyl 3-nitropyridine-4-carboxylate
SYSTEMATIC NAME: methyl 3-nitropyridine-4-carboxylate
MOLECULAR FORMULA: C7H6N2O4
MOLECULAR WEIGHT: 182.13354
SMILES: COC(=O)C1=C(C=NC=C1)[N+](=O)[O-]
Structure:
CAS RN: 163438-09-3
CAS Name: (3R)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-piperidinecarboxylic acid
OPENEYE Name: (3R)-1-tert-butoxycarbonylpiperidine-3-carboxylic acid
IUPAC Name: (3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
SYSTEMATIC NAME: (3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
MOLECULAR FORMULA: C11H19NO4
MOLECULAR WEIGHT: 229.27286
SMILES: CC(C)(C)OC(=O)N1CCC[C@H](C1)C(=O)O
Structure:
CAS RN: 17342-08-4
CAS Name: (5S)-5-(hydroxymethyl)-2-pyrrolidinone
OPENEYE Name: (5S)-5-(hydroxymethyl)pyrrolidin-2-one
IUPAC Name: (5S)-5-(hydroxymethyl)pyrrolidin-2-one
SYSTEMATIC NAME: (5S)-5-(hydroxymethyl)pyrrolidin-2-one
MOLECULAR FORMULA: C5H9NO2
MOLECULAR WEIGHT: 115.13046
SMILES: C1CC(=O)N[C@@H]1CO
Structure:
CAS RN: 51387-90-7
CAS Name: 2-[(2S)-1-methyl-2-pyrrolidinyl]ethanamine
OPENEYE Name: 2-[(2S)-1-methylpyrrolidin-2-yl]ethanamine
IUPAC Name: 2-[(2S)-1-methylpyrrolidin-2-yl]ethanamine
SYSTEMATIC NAME: 2-[(2S)-1-methylpyrrolidin-2-yl]ethanamine
MOLECULAR FORMULA: C7H16N2
MOLECULAR WEIGHT: 128.21534
SMILES: CN1CCC[C@H]1CCN
Structure:
CAS RN: 68766-96-1
CAS Name: (2R)-5-oxo-2-pyrrolidinecarboxylic acid ethyl ester
OPENEYE Name: ethyl (2R)-5-oxopyrrolidine-2-carboxylate
IUPAC Name: ethyl (2R)-5-oxopyrrolidine-2-carboxylate
SYSTEMATIC NAME: ethyl (2R)-5-oxidanylidenepyrrolidine-2-carboxylate
MOLECULAR FORMULA: C7H11NO3
MOLECULAR WEIGHT: 157.16714
SMILES: CCOC(=O)[C@H]1CCC(=O)N1
Structure:
CAS RN: 51255-18-6
CAS Name: (2R,3S,5S)-2-(hydroxymethyl)-5-methoxy-3-oxolanol
OPENEYE Name: (2R,3S,5S)-2-(hydroxymethyl)-5-methoxy-tetrahydrofuran-3-ol
IUPAC Name: (2R,3S,5S)-2-(hydroxymethyl)-5-methoxyoxolan-3-ol
SYSTEMATIC NAME: (2R,3S,5S)-2-(hydroxymethyl)-5-methoxy-oxolan-3-ol
MOLECULAR FORMULA: C6H12O4
MOLECULAR WEIGHT: 148.15708
SMILES: CO[C@@H]1C[C@@H]([C@H](O1)CO)O
Structure:
CAS RN: 109384-19-2
CAS Name: 4-hydroxy-1-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-hydroxypiperidine-1-carboxylate
IUPAC Name: tert-butyl 4-hydroxypiperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-oxidanylpiperidine-1-carboxylate
MOLECULAR FORMULA: C10H19NO3
MOLECULAR WEIGHT: 201.26276
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)O
Structure:
CAS RN: 4747-71-1
CAS Name: isocyanatocyclopentane
OPENEYE Name: isocyanatocyclopentane
IUPAC Name: isocyanatocyclopentane
SYSTEMATIC NAME: isocyanatocyclopentane
MOLECULAR FORMULA: C6H9NO
MOLECULAR WEIGHT: 111.14176
SMILES: C1CCC(C1)N=C=O
Structure:
CAS RN: 102422-56-0
CAS Name: 1-fluoro-3-(isocyanatomethyl)benzene
OPENEYE Name: 1-fluoro-3-(isocyanatomethyl)benzene
IUPAC Name: 1-fluoro-3-(isocyanatomethyl)benzene
SYSTEMATIC NAME: 1-fluoranyl-3-(isocyanatomethyl)benzene
MOLECULAR FORMULA: C8H6FNO
MOLECULAR WEIGHT: 151.137743
SMILES: C1=CC(=CC(=C1)F)CN=C=O
Structure:
CAS RN: 19099-93-5
CAS Name: 4-oxo-1-piperidinecarboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl 4-oxopiperidine-1-carboxylate
IUPAC Name: benzyl 4-oxopiperidine-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 4-oxidanylidenepiperidine-1-carboxylate
MOLECULAR FORMULA: C13H15NO3
MOLECULAR WEIGHT: 233.2631
SMILES: C1CN(CCC1=O)C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 31166-44-6
CAS Name: 1-piperazinecarboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl piperazine-1-carboxylate
IUPAC Name: benzyl piperazine-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) piperazine-1-carboxylate
MOLECULAR FORMULA: C12H16N2O2
MOLECULAR WEIGHT: 220.26764
SMILES: C1CN(CCN1)C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 5176-27-2
CAS Name: 1-pyrrolecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl pyrrole-1-carboxylate
IUPAC Name: tert-butyl pyrrole-1-carboxylate
SYSTEMATIC NAME: tert-butyl pyrrole-1-carboxylate
MOLECULAR FORMULA: C9H13NO2
MOLECULAR WEIGHT: 167.20502
SMILES: CC(C)(C)OC(=O)N1C=CC=C1
Structure:
CAS RN: 86261-90-7
CAS Name: 2-methyl-2-propenoic acid 2-(2-oxo-1-imidazolidinyl)ethyl ester
OPENEYE Name: 2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate
IUPAC Name: 2-(2-oxoimidazolidin-1-yl)ethyl 2-methylprop-2-enoate
SYSTEMATIC NAME: 2-(2-oxidanylideneimidazolidin-1-yl)ethyl 2-methylprop-2-enoate
MOLECULAR FORMULA: C9H14N2O3
MOLECULAR WEIGHT: 198.21906
SMILES: CC(=C)C(=O)OCCN1CCNC1=O
Structure:
CAS RN: 3554-65-2
CAS Name: [(2S)-1-methyl-2-pyrrolidinyl]methanol
OPENEYE Name: [(2S)-1-methylpyrrolidin-2-yl]methanol
IUPAC Name: [(2S)-1-methylpyrrolidin-2-yl]methanol
SYSTEMATIC NAME: [(2S)-1-methylpyrrolidin-2-yl]methanol
MOLECULAR FORMULA: C6H13NO
MOLECULAR WEIGHT: 115.17352
SMILES: CN1CCC[C@H]1CO
Structure:
CAS RN: 69556-70-3
CAS Name: 3-methoxy-2H-furan-5-one
OPENEYE Name: 3-methoxy-2H-furan-5-one
IUPAC Name: 3-methoxy-2H-furan-5-one
SYSTEMATIC NAME: 3-methoxy-2H-furan-5-one
MOLECULAR FORMULA: C5H6O3
MOLECULAR WEIGHT: 114.09934
SMILES: COC1=CC(=O)OC1
Structure:
CAS RN: 4683-50-5
CAS Name: 3-methoxy-1-cyclopent-2-enone
OPENEYE Name: 3-methoxycyclopent-2-en-1-one
IUPAC Name: 3-methoxycyclopent-2-en-1-one
SYSTEMATIC NAME: 3-methoxycyclopent-2-en-1-one
MOLECULAR FORMULA: C6H8O2
MOLECULAR WEIGHT: 112.12652
SMILES: COC1=CC(=O)CC1
Structure:
CAS RN: 99494-01-6
CAS Name: (2S)-1-methyl-2-pyrrolidinecarboxylic acid
OPENEYE Name: (2S)-1-methylpyrrolidine-2-carboxylic acid
IUPAC Name: (2S)-1-methylpyrrolidine-2-carboxylic acid
SYSTEMATIC NAME: (2S)-1-methylpyrrolidine-2-carboxylic acid
MOLECULAR FORMULA: C6H11NO2
MOLECULAR WEIGHT: 129.15704
SMILES: CN1CCC[C@H]1C(=O)O
Structure:
CAS RN: 101930-07-8
CAS Name: (3R)-1-(phenylmethyl)-3-pyrrolidinol
OPENEYE Name: (3R)-1-benzylpyrrolidin-3-ol
IUPAC Name: (3R)-1-benzylpyrrolidin-3-ol
SYSTEMATIC NAME: (3R)-1-(phenylmethyl)pyrrolidin-3-ol
MOLECULAR FORMULA: C11H15NO
MOLECULAR WEIGHT: 177.2429
SMILES: C1CN(C[C@@H]1O)CC2=CC=CC=C2
Structure:
CAS RN: 31970-04-4
CAS Name: 2,5-dihydropyrrole-1-carboxylic acid (phenylmethyl) ester
OPENEYE Name: benzyl 2,5-dihydropyrrole-1-carboxylate
IUPAC Name: benzyl 2,5-dihydropyrrole-1-carboxylate
SYSTEMATIC NAME: (phenylmethyl) 2,5-dihydropyrrole-1-carboxylate
MOLECULAR FORMULA: C12H13NO2
MOLECULAR WEIGHT: 203.23712
SMILES: C1C=CCN1C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 104597-98-0
CAS Name: (2S)-aziridine-1,2-dicarboxylic acid O2-methyl ester O1-(phenylmethyl) ester
OPENEYE Name: O1-benzyl O2-methyl (2S)-aziridine-1,2-dicarboxylate
IUPAC Name: 1-O-benzyl 2-O-methyl (2S)-aziridine-1,2-dicarboxylate
SYSTEMATIC NAME: O2-methyl O1-(phenylmethyl) (2S)-aziridine-1,2-dicarboxylate
MOLECULAR FORMULA: C12H13NO4
MOLECULAR WEIGHT: 235.23592
SMILES: COC(=O)[C@@H]1CN1C(=O)OCC2=CC=CC=C2
Structure:
CAS RN: 217476-93-2
CAS Name: (2S,3R,4aR,9aR)-7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol
OPENEYE Name: (2S,3R,4aR,9aR)-7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxy-phenyl]vinyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol
IUPAC Name: (2S,3R,4aR,9aR)-7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol
SYSTEMATIC NAME: (2S,3R,4aR,9aR)-7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-bis(oxidanyl)phenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol
MOLECULAR FORMULA: C35H46O6
MOLECULAR WEIGHT: 562.73614
SMILES: CC(=CCC/C(=C/CC1=C(C=C(C=C1O)/C=C/C2=CC3=C(C(=C2)OC)O[C@@]4(C[C@H]([C@H](C([C@H]4C3)(C)C)O)O)C)O)/C)C
Structure:
CAS RN: 217476-92-1
CAS Name: (2S,3R,4aR,9aR)-7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3,5-triol
OPENEYE Name: (2S,3R,4aR,9aR)-7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxy-phenyl]vinyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3,5-triol
IUPAC Name: (2S,3R,4aR,9aR)-7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3,5-triol
SYSTEMATIC NAME: (2S,3R,4aR,9aR)-7-[(E)-2-[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-bis(oxidanyl)phenyl]ethenyl]-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3,5-triol
MOLECULAR FORMULA: C34H44O6
MOLECULAR WEIGHT: 548.70956
SMILES: CC(=CCC/C(=C/CC1=C(C=C(C=C1O)/C=C/C2=CC3=C(C(=C2)O)O[C@@]4(C[C@H]([C@H](C([C@H]4C3)(C)C)O)O)C)O)/C)C
Structure:
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