CAS RN: 60766-60-1
CAS Name: 3-(5-bromo-5-nitro-1,3-dioxan-2-yl)phenol
OPENEYE Name: 3-(5-bromo-5-nitro-1,3-dioxan-2-yl)phenol
IUPAC Name: 3-(5-bromo-5-nitro-1,3-dioxan-2-yl)phenol
SYSTEMATIC NAME: 3-(5-bromanyl-5-nitro-1,3-dioxan-2-yl)phenol
MOLECULAR FORMULA: C10H10BrNO5
MOLECULAR WEIGHT: 304.0941
SMILES: C1C(COC(O1)C2=CC(=CC=C2)O)([N+](=O)[O-])Br
Structure:
CAS RN: 37163-91-0
CAS Name: acetic acid [6-methyl-3-methylene-2-oxo-7-(3-oxobutyl)-4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-5-yl] ester
OPENEYE Name: [6-methyl-3-methylene-2-oxo-7-(3-oxobutyl)-4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-5-yl] acetate
IUPAC Name: [6-methyl-3-methylidene-2-oxo-7-(3-oxobutyl)-4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-5-yl] acetate
SYSTEMATIC NAME: [6-methyl-3-methylidene-2-oxidanylidene-7-(3-oxidanylidenebutyl)-4,5,6,8a-tetrahydro-3aH-cyclohepta[b]furan-5-yl] ethanoate
MOLECULAR FORMULA: C17H22O5
MOLECULAR WEIGHT: 306.35358
SMILES: CC1C(CC2C(C=C1CCC(=O)C)OC(=O)C2=C)OC(=O)C
Structure:
CAS RN: 40137-00-6
CAS Name: N,N-diethyl-3,7-dimethyl-1-octa-2,6-dienamine
OPENEYE Name: N,N-diethyl-3,7-dimethyl-octa-2,6-dien-1-amine
IUPAC Name: N,N-diethyl-3,7-dimethylocta-2,6-dien-1-amine
SYSTEMATIC NAME: N,N-diethyl-3,7-dimethyl-octa-2,6-dien-1-amine
MOLECULAR FORMULA: C14H27N
MOLECULAR WEIGHT: 209.37088
SMILES: CCN(CC)CC=C(C)CCC=C(C)C
Structure:
CAS RN: 53652-01-0
CAS Name: N,N,3,7-tetramethyl-1-octa-2,6-dienamine
OPENEYE Name: N,N,3,7-tetramethylocta-2,6-dien-1-amine
IUPAC Name: N,N,3,7-tetramethylocta-2,6-dien-1-amine
SYSTEMATIC NAME: N,N,3,7-tetramethylocta-2,6-dien-1-amine
MOLECULAR FORMULA: C12H23N
MOLECULAR WEIGHT: 181.31772
SMILES: CC(=CCCC(=CCN(C)C)C)C
Structure:
CAS RN: 62770-92-7
CAS Name: N-(3,7-dimethylocta-1,6-dien-3-yloxy)-N-ethylethanamine
OPENEYE Name: N-(1,5-dimethyl-1-vinyl-hex-4-enoxy)-N-ethyl-ethanamine
IUPAC Name: N-(3,7-dimethylocta-1,6-dien-3-yloxy)-N-ethylethanamine
SYSTEMATIC NAME: N-(3,7-dimethylocta-1,6-dien-3-yloxy)-N-ethyl-ethanamine
MOLECULAR FORMULA: C14H27NO
MOLECULAR WEIGHT: 225.37028
SMILES: CCN(CC)OC(C)(CCC=C(C)C)C=C
Structure:
CAS RN: 51768-90-2
CAS Name: N-(3,7-dimethylocta-1,6-dien-3-yloxy)-N-methylmethanamine
OPENEYE Name: N-(1,5-dimethyl-1-vinyl-hex-4-enoxy)-N-methyl-methanamine
IUPAC Name: N-(3,7-dimethylocta-1,6-dien-3-yloxy)-N-methylmethanamine
SYSTEMATIC NAME: N-(3,7-dimethylocta-1,6-dien-3-yloxy)-N-methyl-methanamine
MOLECULAR FORMULA: C12H23NO
MOLECULAR WEIGHT: 197.31712
SMILES: CC(=CCCC(C)(C=C)ON(C)C)C
Structure:
CAS RN: 65321-70-2
CAS Name: 5-[bis(2-chloroethyl)amino]-3-(4-methoxyphenyl)-5-oxopentanoic acid
OPENEYE Name: 5-[bis(2-chloroethyl)amino]-3-(4-methoxyphenyl)-5-oxo-pentanoic acid
IUPAC Name: 5-[bis(2-chloroethyl)amino]-3-(4-methoxyphenyl)-5-oxopentanoic acid
SYSTEMATIC NAME: 5-[bis(2-chloroethyl)amino]-3-(4-methoxyphenyl)-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C16H21Cl2NO4
MOLECULAR WEIGHT: 362.24824
SMILES: COC1=CC=C(C=C1)C(CC(=O)N(CCCl)CCCl)CC(=O)O
Structure:
CAS RN: 75436-72-5
CAS Name: N,N,N',N'-tetrakis(2-chloroethyl)-3-(4-methoxyphenyl)pentanediamide
OPENEYE Name: N,N,N',N'-tetrakis(2-chloroethyl)-3-(4-methoxyphenyl)pentanediamide
IUPAC Name: N,N,N',N'-tetrakis(2-chloroethyl)-3-(4-methoxyphenyl)pentanediamide
SYSTEMATIC NAME: N,N,N',N'-tetrakis(2-chloroethyl)-3-(4-methoxyphenyl)pentanediamide
MOLECULAR FORMULA: C20H28Cl4N2O3
MOLECULAR WEIGHT: 486.25992
SMILES: COC1=CC=C(C=C1)C(CC(=O)N(CCCl)CCCl)CC(=O)N(CCCl)CCCl
Structure:
CAS RN: 75436-71-4
CAS Name: N,N'-bis(2-chloroethyl)-3-(4-methoxyphenyl)pentanediamide
OPENEYE Name: N,N'-bis(2-chloroethyl)-3-(4-methoxyphenyl)pentanediamide
IUPAC Name: N,N'-bis(2-chloroethyl)-3-(4-methoxyphenyl)pentanediamide
SYSTEMATIC NAME: N,N'-bis(2-chloroethyl)-3-(4-methoxyphenyl)pentanediamide
MOLECULAR FORMULA: C16H22Cl2N2O3
MOLECULAR WEIGHT: 361.26348
SMILES: COC1=CC=C(C=C1)C(CC(=O)NCCCl)CC(=O)NCCCl
Structure:
CAS RN: 75436-69-0
CAS Name: 1-(2-chloroethyl)-4-(4-methoxyphenyl)piperidine-2,6-dione
OPENEYE Name: 1-(2-chloroethyl)-4-(4-methoxyphenyl)piperidine-2,6-dione
IUPAC Name: 1-(2-chloroethyl)-4-(4-methoxyphenyl)piperidine-2,6-dione
SYSTEMATIC NAME: 1-(2-chloroethyl)-4-(4-methoxyphenyl)piperidine-2,6-dione
MOLECULAR FORMULA: C14H16ClNO3
MOLECULAR WEIGHT: 281.73474
SMILES: COC1=CC=C(C=C1)C2CC(=O)N(C(=O)C2)CCCl
Structure:
CAS RN: 69504-70-7
CAS Name: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline
OPENEYE Name: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinoline
IUPAC Name: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinoline
SYSTEMATIC NAME: 3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-isoquinoline
MOLECULAR FORMULA: C19H19NO4
MOLECULAR WEIGHT: 325.35846
SMILES: COC1=C(C=C(C=C1)C2=CC3=CC(=C(C=C3C=N2)OC)OC)OC
Structure:
CAS RN: 69504-71-8
CAS Name: 3-(3,4-dichlorophenyl)-6,7-dimethoxy-4-isoquinolinol
OPENEYE Name: 3-(3,4-dichlorophenyl)-6,7-dimethoxy-isoquinolin-4-ol
IUPAC Name: 3-(3,4-dichlorophenyl)-6,7-dimethoxyisoquinolin-4-ol
SYSTEMATIC NAME: 3-(3,4-dichlorophenyl)-6,7-dimethoxy-isoquinolin-4-ol
MOLECULAR FORMULA: C17H13Cl2NO3
MOLECULAR WEIGHT: 350.19602
SMILES: COC1=C(C=C2C(=C1)C=NC(=C2O)C3=CC(=C(C=C3)Cl)Cl)OC
Structure:
CAS RN: 69504-68-3
CAS Name: 3-(3,4-dichlorophenyl)-6,7-dimethoxyisoquinoline
OPENEYE Name: 3-(3,4-dichlorophenyl)-6,7-dimethoxy-isoquinoline
IUPAC Name: 3-(3,4-dichlorophenyl)-6,7-dimethoxyisoquinoline
SYSTEMATIC NAME: 3-(3,4-dichlorophenyl)-6,7-dimethoxy-isoquinoline
MOLECULAR FORMULA: C17H13Cl2NO2
MOLECULAR WEIGHT: 334.19662
SMILES: COC1=C(C=C2C=NC(=CC2=C1)C3=CC(=C(C=C3)Cl)Cl)OC
Structure:
CAS RN: 32153-13-2
CAS Name: 6,7-dimethoxy-3-phenyl-4-isoquinolinol
OPENEYE Name: 6,7-dimethoxy-3-phenyl-isoquinolin-4-ol
IUPAC Name: 6,7-dimethoxy-3-phenylisoquinolin-4-ol
SYSTEMATIC NAME: 6,7-dimethoxy-3-phenyl-isoquinolin-4-ol
MOLECULAR FORMULA: C17H15NO3
MOLECULAR WEIGHT: 281.3059
SMILES: COC1=C(C=C2C(=C1)C=NC(=C2O)C3=CC=CC=C3)OC
Structure:
CAS RN: 64724-80-7
CAS Name: N-(5-nitro-2-thiazolyl)dodecanamide
OPENEYE Name: N-(5-nitrothiazol-2-yl)dodecanamide
IUPAC Name: N-(5-nitro-1,3-thiazol-2-yl)dodecanamide
SYSTEMATIC NAME: N-(5-nitro-1,3-thiazol-2-yl)dodecanamide
MOLECULAR FORMULA: C15H25N3O3S
MOLECULAR WEIGHT: 327.4423
SMILES: CCCCCCCCCCCC(=O)NC1=NC=C(S1)[N+](=O)[O-]
Structure:
CAS RN: 64724-81-8
CAS Name: N-(5-nitro-2-thiazolyl)-2-butenamide
OPENEYE Name: N-(5-nitrothiazol-2-yl)but-2-enamide
IUPAC Name: N-(5-nitro-1,3-thiazol-2-yl)but-2-enamide
SYSTEMATIC NAME: N-(5-nitro-1,3-thiazol-2-yl)but-2-enamide
MOLECULAR FORMULA: C7H7N3O3S
MOLECULAR WEIGHT: 213.21378
SMILES: CC=CC(=O)NC1=NC=C(S1)[N+](=O)[O-]
Structure:
CAS RN: 64724-79-4
CAS Name: N-(5-nitro-2-thiazolyl)nonanamide
OPENEYE Name: N-(5-nitrothiazol-2-yl)nonanamide
IUPAC Name: N-(5-nitro-1,3-thiazol-2-yl)nonanamide
SYSTEMATIC NAME: N-(5-nitro-1,3-thiazol-2-yl)nonanamide
MOLECULAR FORMULA: C12H19N3O3S
MOLECULAR WEIGHT: 285.36256
SMILES: CCCCCCCCC(=O)NC1=NC=C(S1)[N+](=O)[O-]
Structure:
CAS RN: 64724-82-9
CAS Name: N-(5-nitro-2-thiazolyl)hexa-2,4-dienamide
OPENEYE Name: N-(5-nitrothiazol-2-yl)hexa-2,4-dienamide
IUPAC Name: N-(5-nitro-1,3-thiazol-2-yl)hexa-2,4-dienamide
SYSTEMATIC NAME: N-(5-nitro-1,3-thiazol-2-yl)hexa-2,4-dienamide
MOLECULAR FORMULA: C9H9N3O3S
MOLECULAR WEIGHT: 239.25106
SMILES: CC=CC=CC(=O)NC1=NC=C(S1)[N+](=O)[O-]
Structure:
CAS RN: 14538-17-1
CAS Name: N-(5-nitro-2-thiazolyl)pentanamide
OPENEYE Name: N-(5-nitrothiazol-2-yl)pentanamide
IUPAC Name: N-(5-nitro-1,3-thiazol-2-yl)pentanamide
SYSTEMATIC NAME: N-(5-nitro-1,3-thiazol-2-yl)pentanamide
MOLECULAR FORMULA: C8H11N3O3S
MOLECULAR WEIGHT: 229.25624
SMILES: CCCCC(=O)NC1=NC=C(S1)[N+](=O)[O-]
Structure:
CAS RN: 91093-69-5
CAS Name: N-(5-nitro-2-thiazolyl)-2-phenylacetamide
OPENEYE Name: N-(5-nitrothiazol-2-yl)-2-phenyl-acetamide
IUPAC Name: N-(5-nitro-1,3-thiazol-2-yl)-2-phenylacetamide
SYSTEMATIC NAME: N-(5-nitro-1,3-thiazol-2-yl)-2-phenyl-ethanamide
MOLECULAR FORMULA: C11H9N3O3S
MOLECULAR WEIGHT: 263.27246
SMILES: C1=CC=C(C=C1)CC(=O)NC2=NC=C(S2)[N+](=O)[O-]
Structure:
CAS RN: 86588-03-6
CAS Name: 2,2-dichloro-N-(5-nitro-2-thiazolyl)acetamide
OPENEYE Name: 2,2-dichloro-N-(5-nitrothiazol-2-yl)acetamide
IUPAC Name: 2,2-dichloro-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SYSTEMATIC NAME: 2,2-bis(chloranyl)-N-(5-nitro-1,3-thiazol-2-yl)ethanamide
MOLECULAR FORMULA: C5H3Cl2N3O3S
MOLECULAR WEIGHT: 256.06662
SMILES: C1=C(SC(=N1)NC(=O)C(Cl)Cl)[N+](=O)[O-]
Structure:
CAS RN: 35786-41-5
CAS Name: 2-(hydroxymethyl)-6-(1-imidazolyl)oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-imidazol-1-yl-tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-imidazol-1-yloxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-imidazol-1-yl-oxane-3,4,5-triol
MOLECULAR FORMULA: C9H14N2O5
MOLECULAR WEIGHT: 230.21786
SMILES: C1=CN(C=N1)C2C(C(C(C(O2)CO)O)O)O
Structure:
CAS RN: 35786-42-6
CAS Name: 2-(hydroxymethyl)-6-(1-imidazolyl)oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-imidazol-1-yl-tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-imidazol-1-yloxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-imidazol-1-yl-oxane-3,4,5-triol
MOLECULAR FORMULA: C9H14N2O5
MOLECULAR WEIGHT: 230.21786
SMILES: C1=CN(C=N1)C2C(C(C(C(O2)CO)O)O)O
Structure:
CAS RN: 61425-04-5
CAS Name: 2-(hydroxymethyl)-6-(1-imidazolyl)oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-imidazol-1-yl-tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-imidazol-1-yloxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-imidazol-1-yl-oxane-3,4,5-triol
MOLECULAR FORMULA: C9H14N2O5
MOLECULAR WEIGHT: 230.21786
SMILES: C1=CN(C=N1)C2C(C(C(C(O2)CO)O)O)O
Structure:
CAS RN: 61425-05-6
CAS Name: 2-(hydroxymethyl)-6-(1-imidazolyl)oxane-3,4,5-triol
OPENEYE Name: 2-(hydroxymethyl)-6-imidazol-1-yl-tetrahydropyran-3,4,5-triol
IUPAC Name: 2-(hydroxymethyl)-6-imidazol-1-yloxane-3,4,5-triol
SYSTEMATIC NAME: 2-(hydroxymethyl)-6-imidazol-1-yl-oxane-3,4,5-triol
MOLECULAR FORMULA: C9H14N2O5
MOLECULAR WEIGHT: 230.21786
SMILES: C1=CN(C=N1)C2C(C(C(C(O2)CO)O)O)O
Structure:
CAS RN: 54303-59-2
CAS Name: 6,6-dimethyl-3-oxo-1-cyclohexa-1,4-dienecarbonitrile
OPENEYE Name: 6,6-dimethyl-3-oxo-cyclohexa-1,4-diene-1-carbonitrile
IUPAC Name: 6,6-dimethyl-3-oxocyclohexa-1,4-diene-1-carbonitrile
SYSTEMATIC NAME: 6,6-dimethyl-3-oxidanylidene-cyclohexa-1,4-diene-1-carbonitrile
MOLECULAR FORMULA: C9H9NO
MOLECULAR WEIGHT: 147.17386
SMILES: CC1(C=CC(=O)C=C1C#N)C
Structure:
CAS RN: 60812-95-5
CAS Name: 5-methyl-6-(phenylmethoxyamino)-1H-pyrimidin-2-one
OPENEYE Name: 6-(benzyloxyamino)-5-methyl-1H-pyrimidin-2-one
IUPAC Name: 5-methyl-6-(phenylmethoxyamino)-1H-pyrimidin-2-one
SYSTEMATIC NAME: 5-methyl-6-(phenylmethoxyamino)-1H-pyrimidin-2-one
MOLECULAR FORMULA: C12H13N3O2
MOLECULAR WEIGHT: 231.25052
SMILES: CC1=C(NC(=O)N=C1)NOCC2=CC=CC=C2
Structure:
CAS RN: 58634-66-5
CAS Name: 6-(butoxyamino)-1H-pyrimidin-2-one
OPENEYE Name: 6-(butoxyamino)-1H-pyrimidin-2-one
IUPAC Name: 6-(butoxyamino)-1H-pyrimidin-2-one
SYSTEMATIC NAME: 6-(butoxyamino)-1H-pyrimidin-2-one
MOLECULAR FORMULA: C8H13N3O2
MOLECULAR WEIGHT: 183.20772
SMILES: CCCCONC1=CC=NC(=O)N1
Structure:
CAS RN: 59004-67-0
CAS Name: 2-[(1-hydroxy-2-pyridinylidene)amino]-1-phenyl-1-propanol
OPENEYE Name: 2-[(1-hydroxy-2-pyridylidene)amino]-1-phenyl-propan-1-ol
IUPAC Name: 2-[(1-hydroxypyridin-2-ylidene)amino]-1-phenylpropan-1-ol
SYSTEMATIC NAME: 2-[(1-oxidanylpyridin-2-ylidene)amino]-1-phenyl-propan-1-ol
MOLECULAR FORMULA: C14H16N2O2
MOLECULAR WEIGHT: 244.28904
SMILES: CC(C(C1=CC=CC=C1)O)N=C2C=CC=CN2O
Structure:
CAS RN: 17242-88-5
CAS Name: 5-fluoro-1-[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-fluoro-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-fluoro-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-fluoranyl-1-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C10H13FN2O7
MOLECULAR WEIGHT: 292.217823
SMILES: C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)O)O)F
Structure:
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