CAS RN: 2812-01-3
CAS Name: [(E)-3-chloroprop-1-enyl]benzene
OPENEYE Name: [(E)-3-chloroprop-1-enyl]benzene
IUPAC Name: [(E)-3-chloroprop-1-enyl]benzene
SYSTEMATIC NAME: [(E)-3-chloranylprop-1-enyl]benzene
MOLECULAR FORMULA: C9H9Cl
MOLECULAR WEIGHT: 152.62076
SMILES: C1=CC=C(C=C1)/C=C/CCl
Structure:
CAS RN: 2687-12-9
CAS Name: [(E)-3-chloroprop-1-enyl]benzene
OPENEYE Name: [(E)-3-chloroprop-1-enyl]benzene
IUPAC Name: [(E)-3-chloroprop-1-enyl]benzene
SYSTEMATIC NAME: [(E)-3-chloranylprop-1-enyl]benzene
MOLECULAR FORMULA: C9H9Cl
MOLECULAR WEIGHT: 152.62076
SMILES: C1=CC=C(C=C1)/C=C/CCl
Structure:
CAS RN: 17082-09-6
CAS Name: [(E)-3-chloroprop-1-enyl]benzene
OPENEYE Name: [(E)-3-chloroprop-1-enyl]benzene
IUPAC Name: [(E)-3-chloroprop-1-enyl]benzene
SYSTEMATIC NAME: [(E)-3-chloranylprop-1-enyl]benzene
MOLECULAR FORMULA: C9H9Cl
MOLECULAR WEIGHT: 152.62076
SMILES: C1=CC=C(C=C1)/C=C/CCl
Structure:
CAS RN: 21087-29-6
CAS Name: [(E)-3-chloroprop-1-enyl]benzene
OPENEYE Name: [(E)-3-chloroprop-1-enyl]benzene
IUPAC Name: [(E)-3-chloroprop-1-enyl]benzene
SYSTEMATIC NAME: [(E)-3-chloranylprop-1-enyl]benzene
MOLECULAR FORMULA: C9H9Cl
MOLECULAR WEIGHT: 152.62076
SMILES: C1=CC=C(C=C1)/C=C/CCl
Structure:
CAS RN: 55857-56-2
CAS Name: 5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]isoquinoline
OPENEYE Name: 5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]isoquinoline
IUPAC Name: 5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]isoquinoline
SYSTEMATIC NAME: 5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]isoquinoline
MOLECULAR FORMULA: C18H15NO3
MOLECULAR WEIGHT: 293.3166
SMILES: COC1=CC=C(C=C1)CC2=NC=CC3=CC4=C(C=C32)OCO4
Structure:
CAS RN: 76177-28-1
CAS Name: N-[(7-methoxy-6-methyl-5,8-dioxo-1-isoquinolinyl)methyl]-2-oxopropanamide
OPENEYE Name: N-[(7-methoxy-6-methyl-5,8-dioxo-1-isoquinolyl)methyl]-2-oxo-propanamide
IUPAC Name: N-[(7-methoxy-6-methyl-5,8-dioxoisoquinolin-1-yl)methyl]-2-oxopropanamide
SYSTEMATIC NAME: N-[[7-methoxy-6-methyl-5,8-bis(oxidanylidene)isoquinolin-1-yl]methyl]-2-oxidanylidene-propanamide
MOLECULAR FORMULA: C15H14N2O5
MOLECULAR WEIGHT: 302.28206
SMILES: CC1=C(C(=O)C2=C(C1=O)C=CN=C2CNC(=O)C(=O)C)OC
Structure:
CAS RN: 17288-55-0
CAS Name: 5-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carboxaldehyde
OPENEYE Name: 5-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
IUPAC Name: 5-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
SYSTEMATIC NAME: 5-methoxy-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde
MOLECULAR FORMULA: C9H8N2O2
MOLECULAR WEIGHT: 176.17202
SMILES: COC1=NC2=C(C=C1)NC=C2C=O
Structure:
CAS RN: 538-49-8
CAS Name: 2-[(E)-2-phenylethenyl]pyridine
OPENEYE Name: 2-[(E)-styryl]pyridine
IUPAC Name: 2-[(E)-2-phenylethenyl]pyridine
SYSTEMATIC NAME: 2-[(E)-2-phenylethenyl]pyridine
MOLECULAR FORMULA: C13H11N
MOLECULAR WEIGHT: 181.23314
SMILES: C1=CC=C(C=C1)/C=C/C2=CC=CC=N2
Structure:
CAS RN: 53895-29-7
CAS Name: 2-[(E)-2-phenylethenyl]pyridine
OPENEYE Name: 2-[(E)-styryl]pyridine
IUPAC Name: 2-[(E)-2-phenylethenyl]pyridine
SYSTEMATIC NAME: 2-[(E)-2-phenylethenyl]pyridine
MOLECULAR FORMULA: C13H11N
MOLECULAR WEIGHT: 181.23314
SMILES: C1=CC=C(C=C1)/C=C/C2=CC=CC=N2
Structure:
CAS RN: 27048-28-8
CAS Name: 4-chloro-N-(2-pyridinylmethyl)aniline
OPENEYE Name: 4-chloro-N-(2-pyridylmethyl)aniline
IUPAC Name: 4-chloro-N-(pyridin-2-ylmethyl)aniline
SYSTEMATIC NAME: 4-chloranyl-N-(pyridin-2-ylmethyl)aniline
MOLECULAR FORMULA: C12H11ClN2
MOLECULAR WEIGHT: 218.68214
SMILES: C1=CC=NC(=C1)CNC2=CC=C(C=C2)Cl
Structure:
CAS RN: 144100-07-2
CAS Name: 2-bromo-6-fluoropyridine
OPENEYE Name: 2-bromo-6-fluoro-pyridine
IUPAC Name: 2-bromo-6-fluoropyridine
SYSTEMATIC NAME: 2-bromanyl-6-fluoranyl-pyridine
MOLECULAR FORMULA: C5H3BrFN
MOLECULAR WEIGHT: 175.986423
SMILES: C1=CC(=NC(=C1)Br)F
Structure:
CAS RN: 20885-12-5
CAS Name: 2-chloro-6-fluoropyridine
OPENEYE Name: 2-chloro-6-fluoro-pyridine
IUPAC Name: 2-chloro-6-fluoropyridine
SYSTEMATIC NAME: 2-chloranyl-6-fluoranyl-pyridine
MOLECULAR FORMULA: C5H3ClFN
MOLECULAR WEIGHT: 131.535423
SMILES: C1=CC(=NC(=C1)Cl)F
Structure:
CAS RN: 6429-04-5
CAS Name: (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
OPENEYE Name: (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
IUPAC Name: (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
SYSTEMATIC NAME: (1S)-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
MOLECULAR FORMULA: C20H25NO4
MOLECULAR WEIGHT: 343.4168
SMILES: COC1=C(C=C(C=C1)C[C@H]2C3=CC(=C(C=C3CCN2)OC)OC)OC
Structure:
CAS RN: 83702-52-7
CAS Name: 6-acetyl-7-methyl-3-pyrazolo[1,5-a]pyrimidinecarbonitrile
OPENEYE Name: 6-acetyl-7-methyl-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
IUPAC Name: 6-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SYSTEMATIC NAME: 6-ethanoyl-7-methyl-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
MOLECULAR FORMULA: C10H8N4O
MOLECULAR WEIGHT: 200.19672
SMILES: CC1=C(C=NC2=C(C=NN12)C#N)C(=O)C
Structure:
CAS RN: 74420-00-1
CAS Name: 1H-pyrrolo[2,3-b]pyridin-4-amine
OPENEYE Name: 1H-pyrrolo[2,3-b]pyridin-4-amine
IUPAC Name: 1H-pyrrolo[2,3-b]pyridin-4-amine
SYSTEMATIC NAME: 1H-pyrrolo[2,3-b]pyridin-4-amine
MOLECULAR FORMULA: C7H7N3
MOLECULAR WEIGHT: 133.15058
SMILES: C1=CNC2=NC=CC(=C21)N
Structure:
CAS RN: 19532-73-1
CAS Name: N,N'-bis(2-hydroxyphenyl)oxamide
OPENEYE Name: N,N'-bis(2-hydroxyphenyl)oxamide
IUPAC Name: N,N'-bis(2-hydroxyphenyl)oxamide
SYSTEMATIC NAME: N,N'-bis(2-hydroxyphenyl)ethanediamide
MOLECULAR FORMULA: C14H12N2O4
MOLECULAR WEIGHT: 272.25608
SMILES: C1=CC=C(C(=C1)NC(=O)C(=O)NC2=CC=CC=C2O)O
Structure:
CAS RN: 20469-65-2
CAS Name: 1-bromo-3,5-dimethoxybenzene
OPENEYE Name: 1-bromo-3,5-dimethoxy-benzene
IUPAC Name: 1-bromo-3,5-dimethoxybenzene
SYSTEMATIC NAME: 1-bromanyl-3,5-dimethoxy-benzene
MOLECULAR FORMULA: C8H9BrO2
MOLECULAR WEIGHT: 217.05986
SMILES: COC1=CC(=CC(=C1)Br)OC
Structure:
CAS RN: 51560-21-5
CAS Name: 1,4-diiodo-2,5-dimethoxybenzene
OPENEYE Name: 1,4-diiodo-2,5-dimethoxy-benzene
IUPAC Name: 1,4-diiodo-2,5-dimethoxybenzene
SYSTEMATIC NAME: 1,4-bis(iodanyl)-2,5-dimethoxy-benzene
MOLECULAR FORMULA: C8H8I2O2
MOLECULAR WEIGHT: 389.95686
SMILES: COC1=CC(=C(C=C1I)OC)I
Structure:
CAS RN: 61394-60-3
CAS Name: (3S)-3-(methylthio)-7-nitro-1,3-dihydroindol-2-one
OPENEYE Name: (3S)-3-methylsulfanyl-7-nitro-indolin-2-one
IUPAC Name: (3S)-3-methylsulfanyl-7-nitro-1,3-dihydroindol-2-one
SYSTEMATIC NAME: (3S)-3-methylsulfanyl-7-nitro-1,3-dihydroindol-2-one
MOLECULAR FORMULA: C9H8N2O3S
MOLECULAR WEIGHT: 224.23642
SMILES: CS[C@H]1C2=C(C(=CC=C2)[N+](=O)[O-])NC1=O
Structure:
CAS RN: 40800-69-9
CAS Name: (3S)-3-(methylthio)-5-nitro-1,3-dihydroindol-2-one
OPENEYE Name: (3S)-3-methylsulfanyl-5-nitro-indolin-2-one
IUPAC Name: (3S)-3-methylsulfanyl-5-nitro-1,3-dihydroindol-2-one
SYSTEMATIC NAME: (3S)-3-methylsulfanyl-5-nitro-1,3-dihydroindol-2-one
MOLECULAR FORMULA: C9H8N2O3S
MOLECULAR WEIGHT: 224.23642
SMILES: CS[C@H]1C2=C(C=CC(=C2)[N+](=O)[O-])NC1=O
Structure:
CAS RN: 52178-50-4
CAS Name: 3-formylbenzoic acid methyl ester
OPENEYE Name: methyl 3-formylbenzoate
IUPAC Name: methyl 3-formylbenzoate
SYSTEMATIC NAME: methyl 3-methanoylbenzoate
MOLECULAR FORMULA: C9H8O3
MOLECULAR WEIGHT: 164.15802
SMILES: COC(=O)C1=CC=CC(=C1)C=O
Structure:
CAS RN: 63113-01-9
CAS Name: (3R)-3-hydroxy-7-methyl-3H-isobenzofuran-1-one
OPENEYE Name: (3R)-3-hydroxy-7-methyl-3H-isobenzofuran-1-one
IUPAC Name: (3R)-3-hydroxy-7-methyl-3H-2-benzofuran-1-one
SYSTEMATIC NAME: (3R)-7-methyl-3-oxidanyl-3H-2-benzofuran-1-one
MOLECULAR FORMULA: C9H8O3
MOLECULAR WEIGHT: 164.15802
SMILES: CC1=CC=CC2=C1C(=O)O[C@H]2O
Structure:
CAS RN: 10140-70-2
CAS Name: (5R)-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-3,11-dione
OPENEYE Name: (5R)-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-3,11-dione
IUPAC Name: (5R)-13,15-dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-3,11-dione
SYSTEMATIC NAME: (5R)-5-methyl-13,15-bis(oxidanyl)-4-oxabicyclo[10.4.0]hexadeca-1(16),12,14-triene-3,11-dione
MOLECULAR FORMULA: C16H20O5
MOLECULAR WEIGHT: 292.327
SMILES: C[C@@H]1CCCCCC(=O)C2=C(C=C(C=C2CC(=O)O1)O)O
Structure:
CAS RN: 5575-54-2
CAS Name: 5-methylbicyclo[4.2.0]octa-1,3,5-triene-7,8-dione
OPENEYE Name: 5-methylbicyclo[4.2.0]octa-1,3,5-triene-7,8-dione
IUPAC Name: 5-methylbicyclo[4.2.0]octa-1,3,5-triene-7,8-dione
SYSTEMATIC NAME: 5-methylbicyclo[4.2.0]octa-1,3,5-triene-7,8-dione
MOLECULAR FORMULA: C9H6O2
MOLECULAR WEIGHT: 146.14274
SMILES: CC1=CC=CC2=C1C(=O)C2=O
Structure:
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