CAS RN: 75131-25-8
CAS Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2-methylpropanehydrazide
OPENEYE Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-methyl-propanehydrazide
IUPAC Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]-2-methylpropanehydrazide
SYSTEMATIC NAME: N'-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]-2-methyl-propanehydrazide
MOLECULAR FORMULA: C17H15ClF3N3O4
MOLECULAR WEIGHT: 417.76691
SMILES: CC(C)C(=O)NNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
Structure:
CAS RN: 75131-24-7
CAS Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]propanehydrazide
OPENEYE Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]propanehydrazide
IUPAC Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]propanehydrazide
SYSTEMATIC NAME: N'-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]propanehydrazide
MOLECULAR FORMULA: C16H13ClF3N3O4
MOLECULAR WEIGHT: 403.74033
SMILES: CCC(=O)NNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
Structure:
CAS RN: 75131-23-6
CAS Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]acetohydrazide
OPENEYE Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]acetohydrazide
IUPAC Name: N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]acetohydrazide
SYSTEMATIC NAME: N'-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]ethanehydrazide
MOLECULAR FORMULA: C15H11ClF3N3O4
MOLECULAR WEIGHT: 389.71375
SMILES: CC(=O)NNC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]
Structure:
CAS RN: 75131-22-5
CAS Name: N-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]formamide
OPENEYE Name: N-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-anilino]formamide
IUPAC Name: N-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]formamide
SYSTEMATIC NAME: N-[[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-phenyl]amino]methanamide
MOLECULAR FORMULA: C14H9ClF3N3O4
MOLECULAR WEIGHT: 375.68717
SMILES: C1=CC(=C(C=C1C(F)(F)F)Cl)OC2=CC(=C(C=C2)[N+](=O)[O-])NNC=O
Structure:
CAS RN: 74608-59-6
CAS Name: 4-hydroxy-2-[2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]propan-2-yl]-2,3-dihydrofuro[3,2-g][1]benzopyran-7-one
OPENEYE Name: 4-hydroxy-2-[1-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-ethyl]-2,3-dihydrofuro[3,2-g]chromen-7-one
IUPAC Name: 4-hydroxy-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one
SYSTEMATIC NAME: 2-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxypropan-2-yl]-4-oxidanyl-2,3-dihydrofuro[3,2-g]chromen-7-one
MOLECULAR FORMULA: C20H24O10
MOLECULAR WEIGHT: 424.39856
SMILES: CC(C)(C1CC2=C(O1)C=C3C(=C2O)C=CC(=O)O3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Structure:
CAS RN: 73818-29-8
CAS Name: 1-acetyl-9H-pyrido[3,4-b]indole-3-carboxylic acid
OPENEYE Name: 1-acetyl-9H-pyrido[3,4-b]indole-3-carboxylic acid
IUPAC Name: 1-acetyl-9H-pyrido[3,4-b]indole-3-carboxylic acid
SYSTEMATIC NAME: 1-ethanoyl-9H-pyrido[3,4-b]indole-3-carboxylic acid
MOLECULAR FORMULA: C14H10N2O3
MOLECULAR WEIGHT: 254.2408
SMILES: CC(=O)C1=C2C(=CC(=N1)C(=O)O)C3=CC=CC=C3N2
Structure:
CAS RN: 73815-19-7
CAS Name: 3-[[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)chromen-4-one
IUPAC Name: 3-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-(3-methoxy-4-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C28H32O17
MOLECULAR WEIGHT: 640.54348
SMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O)O)O
Structure:
CAS RN: 76260-72-5
CAS Name: (3E)-5-chloro-6,6-dihydroxy-2-oxohexa-3,5-dienoic acid
OPENEYE Name: (3E)-5-chloro-6,6-dihydroxy-2-oxo-hexa-3,5-dienoic acid
IUPAC Name: (3E)-5-chloro-6,6-dihydroxy-2-oxohexa-3,5-dienoic acid
SYSTEMATIC NAME: (3E)-5-chloranyl-6,6-bis(oxidanyl)-2-oxidanylidene-hexa-3,5-dienoic acid
MOLECULAR FORMULA: C6H5ClO5
MOLECULAR WEIGHT: 192.5539
SMILES: C(=C/C(=O)C(=O)O)\C(=C(O)O)Cl
Structure:
CAS RN: 76135-82-5
CAS Name: 5,7-dihydroxy-8-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-[4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chromen-4-one
IUPAC Name: 5,7-dihydroxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
SYSTEMATIC NAME: 8-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyphenyl]-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C27H30O16
MOLECULAR WEIGHT: 610.5175
SMILES: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
Structure:
CAS RN: 75533-60-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H22N2O4
MOLECULAR WEIGHT: 390.43178
SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)OC(=O)C6=CN=CC=C6
Structure:
CAS RN: 72021-22-8
CAS Name: 5,7-dihydroxy-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
IUPAC Name: 5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
SYSTEMATIC NAME: 3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C15H16O9
MOLECULAR WEIGHT: 340.28214
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=COC3=CC(=CC(=C3C2=O)O)O)O)O)O
Structure:
CAS RN: 71942-07-9
CAS Name: 2-hydroxy-2-(7-hydroxy-8-methoxy-2-oxo-1-benzopyran-6-yl)acetic acid
OPENEYE Name: 2-hydroxy-2-(7-hydroxy-8-methoxy-2-oxo-chromen-6-yl)acetic acid
IUPAC Name: 2-hydroxy-2-(7-hydroxy-8-methoxy-2-oxochromen-6-yl)acetic acid
SYSTEMATIC NAME: 2-(8-methoxy-7-oxidanyl-2-oxidanylidene-chromen-6-yl)-2-oxidanyl-ethanoic acid
MOLECULAR FORMULA: C12H10O7
MOLECULAR WEIGHT: 266.2036
SMILES: COC1=C2C(=CC(=C1O)C(C(=O)O)O)C=CC(=O)O2
Structure:
CAS RN: 71942-06-8
CAS Name: 2-(7-hydroxy-8-methoxy-2-oxo-1-benzopyran-6-yl)acetic acid
OPENEYE Name: 2-(7-hydroxy-8-methoxy-2-oxo-chromen-6-yl)acetic acid
IUPAC Name: 2-(7-hydroxy-8-methoxy-2-oxochromen-6-yl)acetic acid
SYSTEMATIC NAME: 2-(8-methoxy-7-oxidanyl-2-oxidanylidene-chromen-6-yl)ethanoic acid
MOLECULAR FORMULA: C12H10O6
MOLECULAR WEIGHT: 250.2042
SMILES: COC1=C2C(=CC(=C1O)CC(=O)O)C=CC(=O)O2
Structure:
CAS RN: 54266-74-9
CAS Name: N-(2-chloroethyl)carbamic acid [(Z)-1,3-oxathiolan-4-ylideneamino] ester
OPENEYE Name: [(Z)-1,3-oxathiolan-4-ylideneamino] N-(2-chloroethyl)carbamate
IUPAC Name: [(Z)-1,3-oxathiolan-4-ylideneamino] N-(2-chloroethyl)carbamate
SYSTEMATIC NAME: [(Z)-1,3-oxathiolan-4-ylideneamino] N-(2-chloroethyl)carbamate
MOLECULAR FORMULA: C6H9ClN2O3S
MOLECULAR WEIGHT: 224.66526
SMILES: C1/C(=N/OC(=O)NCCCl)/SCO1
Structure:
CAS RN: 71339-45-2
CAS Name: 2-(2-ethenyl-5-hydroxy-4-oxo-1-benzopyran-3-yl)propanedioic acid dimethyl ester
OPENEYE Name: dimethyl 2-(5-hydroxy-4-oxo-2-vinyl-chromen-3-yl)propanedioate
IUPAC Name: dimethyl 2-(2-ethenyl-5-hydroxy-4-oxochromen-3-yl)propanedioate
SYSTEMATIC NAME: dimethyl 2-(2-ethenyl-5-oxidanyl-4-oxidanylidene-chromen-3-yl)propanedioate
MOLECULAR FORMULA: C16H14O7
MOLECULAR WEIGHT: 318.27816
SMILES: COC(=O)C(C1=C(OC2=C(C1=O)C(=CC=C2)O)C=C)C(=O)OC
Structure:
CAS RN: 71014-58-9
CAS Name: 1-hydroxy-7-methoxy-10H-acridin-9-one
OPENEYE Name: 1-hydroxy-7-methoxy-10H-acridin-9-one
IUPAC Name: 1-hydroxy-7-methoxy-10H-acridin-9-one
SYSTEMATIC NAME: 7-methoxy-1-oxidanyl-10H-acridin-9-one
MOLECULAR FORMULA: C14H11NO3
MOLECULAR WEIGHT: 241.24204
SMILES: COC1=CC2=C(C=C1)NC3=C(C2=O)C(=CC=C3)O
Structure:
CAS RN: 70943-68-9
CAS Name: 5,7-dihydroxy-3-(2-hydroxyphenyl)-1-benzopyran-4-one
OPENEYE Name: 5,7-dihydroxy-3-(2-hydroxyphenyl)chromen-4-one
IUPAC Name: 5,7-dihydroxy-3-(2-hydroxyphenyl)chromen-4-one
SYSTEMATIC NAME: 3-(2-hydroxyphenyl)-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C15H10O5
MOLECULAR WEIGHT: 270.2369
SMILES: C1=CC=C(C(=C1)C2=COC3=CC(=CC(=C3C2=O)O)O)O
Structure:
CAS RN: 70805-81-1
CAS Name: 2-amino-8-[(1-methyl-5H-pyrido[4,3-b]indol-3-yl)amino]-3,7-dihydropurin-6-one
OPENEYE Name: 2-amino-8-[(1-methyl-5H-pyrido[4,3-b]indol-3-yl)amino]-3,7-dihydropurin-6-one
IUPAC Name: 2-amino-8-[(1-methyl-5H-pyrido[4,3-b]indol-3-yl)amino]-3,7-dihydropurin-6-one
SYSTEMATIC NAME: 2-azanyl-8-[(1-methyl-5H-pyrido[4,3-b]indol-3-yl)amino]-3,7-dihydropurin-6-one
MOLECULAR FORMULA: C17H14N8O
MOLECULAR WEIGHT: 346.34606
SMILES: CC1=C2C3=CC=CC=C3NC2=CC(=N1)NC4=NC5=C(N4)C(=O)N=C(N5)N
Structure:
CAS RN: 73726-66-6
CAS Name: (2S)-N-[(2S)-1-[[(2S)-1-[[1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-
OPENEYE Name: (2S)-N-[(1S)-2-[[(1S)-2-[[1-[[2-[[(1S)-2-[[(1S)-1-benzyl-2-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]amino]-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-1-methyl-2-oxo-ethyl]amino]-1-(1H-i
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-1-[[1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-1-[[1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-3-methyl-
MOLECULAR FORMULA: C60H82N16O14S
MOLECULAR WEIGHT: 1283.45688
SMILES: C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](C)C(=O)NC(C(C)C)C(=O)NCC(=O)N[C@@H](CC4=CN=CN4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)C6CCC(=O)N6)O
Structure:
CAS RN: 73036-41-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H26NO8P
MOLECULAR WEIGHT: 439.396101
SMILES: CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2(C1OC5=C(C=C4)OC)CCN3C.OP(=O)(O)O
Structure:
CAS RN: 72093-22-2
CAS Name: (2S)-N-[(2S)-1-[[(2S)-6-amino-1-[[2-[[(3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-ox
OPENEYE Name: (2S)-N-[(1S)-2-[[(1S)-5-amino-1-[[2-[[(2S)-1-[[(1S)-2-[[(1S)-2-[[(1S)-1-[[(1S)-2-[[(1S)-5-amino-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]-3-methyl-butyl]carbamoyl]pentyl]carbamoyl]pentyl]amino]-1-methyl-2-oxo-ethyl]carbamoyl
IUPAC Name: (2S)-N-[(2S)-1-[[(2S)-6-amino-1-[[2-[[(3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-ox
SYSTEMATIC NAME: (2S)-N-[(2S)-1-[[(2S)-6-azanyl-1-[[2-[[(3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-azanyl-1-[[(2S)-6-azanyl-1-[[(2S)-1-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-1-oxidanylidene-hexan-2-
MOLECULAR FORMULA: C73H126N20O15S
MOLECULAR WEIGHT: 1555.97154
SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)NC([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)
Structure:
CAS RN: 71752-87-9
CAS Name: [(E)-[1-[[4-[cyclohexyl(oxo)methyl]-1-pyridin-1-iumyl]methoxymethyl]-2-pyridinylidene]methyl]-oxoammonium diiodide
OPENEYE Name: [(E)-[1-[[4-(cyclohexanecarbonyl)pyridin-1-ium-1-yl]methoxymethyl]-2-pyridylidene]methyl]-oxo-ammonium diiodide
IUPAC Name: [(E)-[1-[[4-(cyclohexanecarbonyl)pyridin-1-ium-1-yl]methoxymethyl]pyridin-2-ylidene]methyl]-oxoazanium diiodide
SYSTEMATIC NAME: [(E)-[1-[(4-cyclohexylcarbonylpyridin-1-ium-1-yl)methoxymethyl]pyridin-2-ylidene]methyl]-oxidanylidene-azanium diiodide
MOLECULAR FORMULA: C20H25I2N3O3
MOLECULAR WEIGHT: 609.23974
SMILES: C1CCC(CC1)C(=O)C2=CC=[N+](C=C2)COCN\3C=CC=C/C3=C\[NH+]=O.[I-].[I-]
Structure:
CAS RN: 156053-89-3
CAS Name: 2-[[(2S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]amino]acetic acid
OPENEYE Name: 2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]propanoyl]amino]acetic acid
IUPAC Name: 2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid
SYSTEMATIC NAME: 2-[[(2S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]methyl]-3-phenyl-propanoyl]amino]ethanoic acid
MOLECULAR FORMULA: C25H32N2O4
MOLECULAR WEIGHT: 424.53258
SMILES: C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](CC3=CC=CC=C3)C(=O)NCC(=O)O
Structure:
CAS RN: 170098-38-1
CAS Name: 2-[[(2S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-1-oxo-3-phenylpropyl]amino]acetic acid dihydrate
OPENEYE Name: 2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidyl]propanoyl]amino]acetic acid dihydrate
IUPAC Name: 2-[[(2S)-2-benzyl-3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoyl]amino]acetic acid dihydrate
SYSTEMATIC NAME: 2-[[(2S)-2-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-piperidin-1-yl]methyl]-3-phenyl-propanoyl]amino]ethanoic acid dihydrate
MOLECULAR FORMULA: C25H36N2O6
MOLECULAR WEIGHT: 460.56314
SMILES: C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](CC3=CC=CC=C3)C(=O)NCC(=O)O.O.O
Structure:
CAS RN: 73648-25-6
CAS Name: (2Z)-3,5-dinitro-2-(nitrosomethylidene)-1H-pyridine
OPENEYE Name: (2Z)-3,5-dinitro-2-(nitrosomethylene)-1H-pyridine
IUPAC Name: (2Z)-3,5-dinitro-2-(nitrosomethylidene)-1H-pyridine
SYSTEMATIC NAME: (2Z)-3,5-dinitro-2-(nitrosomethylidene)-1H-pyridine
MOLECULAR FORMULA: C6H4N4O5
MOLECULAR WEIGHT: 212.11976
SMILES: C1=C(/C(=C/N=O)/NC=C1[N+](=O)[O-])[N+](=O)[O-]
Structure:
CAS RN: 73432-00-5
CAS Name: 7-[[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-2-oxanyl]oxy]-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-1-benzopyran-4-one
OPENEYE Name: 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-chromen-4-one
IUPAC Name: 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-3,5-dihydroxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-7-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-3,5-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C27H30O16
MOLECULAR WEIGHT: 610.5175
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC(=C(C=C5)O)O)O)CO)O)O)O)O)O
Structure:
CAS RN: 73226-86-5
CAS Name: 6-methyl-3-(4-oxo-1-cyclohexa-2,5-dienylidene)-1,4-dihydropyrazin-2-one
OPENEYE Name: 6-methyl-3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,4-dihydropyrazin-2-one
IUPAC Name: 6-methyl-3-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,4-dihydropyrazin-2-one
SYSTEMATIC NAME: 6-methyl-3-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,4-dihydropyrazin-2-one
MOLECULAR FORMULA: C11H10N2O2
MOLECULAR WEIGHT: 202.2093
SMILES: CC1=CNC(=C2C=CC(=O)C=C2)C(=O)N1
Structure:
CAS RN: 73179-94-9
CAS Name: (3E,5E,7Z)-1,1-dihydroxy-9-eicosa-1,3,5,7-tetraenone
OPENEYE Name: (3E,5E,7Z)-1,1-dihydroxyicosa-1,3,5,7-tetraen-9-one
IUPAC Name: (3E,5E,7Z)-1,1-dihydroxyicosa-1,3,5,7-tetraen-9-one
SYSTEMATIC NAME: (3E,5E,7Z)-1,1-bis(oxidanyl)icosa-1,3,5,7-tetraen-9-one
MOLECULAR FORMULA: C20H32O3
MOLECULAR WEIGHT: 320.46628
SMILES: CCCCCCCCCCCC(=O)/C=C\C=C\C=C\C=C(O)O
Structure:
CAS RN: 72581-58-9
CAS Name: 3-[[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1-benzopyran-4-one
OPENEYE Name: 3-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one
IUPAC Name: 3-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one
SYSTEMATIC NAME: 2-[3,4-bis(oxidanyl)phenyl]-3-[(3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C20H18O11
MOLECULAR WEIGHT: 434.35032
SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4[C@H]([C@@H]([C@H](O4)CO)O)O)O)O
Structure:
CAS RN: 72393-03-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H34N2O8
MOLECULAR WEIGHT: 670.70656
SMILES: CC1=CC(=C2C3=C1C4=C5C(=C(C=C4C)O)C(=O)C6=C(C(=C(C7=C6C5=C3C8=C7C(=C(C(=C8C2=O)O)C9CCCCN9)O)O)C1CCCCN1)O)O
Structure:
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