CAS RN: 22351-56-0
CAS Name: (2S)-2-ethyl-2,3-dihydroinden-1-one
OPENEYE Name: (2S)-2-ethylindan-1-one
IUPAC Name: (2S)-2-ethyl-2,3-dihydroinden-1-one
SYSTEMATIC NAME: (2S)-2-ethyl-2,3-dihydroinden-1-one
MOLECULAR FORMULA: C11H12O
MOLECULAR WEIGHT: 160.21238
SMILES: CC[C@H]1CC2=CC=CC=C2C1=O
Structure:
CAS RN: 18870-11-6
CAS Name: 2,5-dibromobenzene-1,4-dicarbonitrile
OPENEYE Name: 2,5-dibromoterephthalonitrile
IUPAC Name: 2,5-dibromobenzene-1,4-dicarbonitrile
SYSTEMATIC NAME: 2,5-bis(bromanyl)benzene-1,4-dicarbonitrile
MOLECULAR FORMULA: C8H2Br2N2
MOLECULAR WEIGHT: 285.92288
SMILES: C1=C(C(=CC(=C1Br)C#N)Br)C#N
Structure:
CAS RN: 15190-06-4
CAS Name: (2R)-2-(4-methylanilino)-2-phenylacetonitrile
OPENEYE Name: (2R)-2-(4-methylanilino)-2-phenyl-acetonitrile
IUPAC Name: (2R)-2-(4-methylanilino)-2-phenylacetonitrile
SYSTEMATIC NAME: (2R)-2-[(4-methylphenyl)amino]-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C15H14N2
MOLECULAR WEIGHT: 222.28506
SMILES: CC1=CC=C(C=C1)N[C@@H](C#N)C2=CC=CC=C2
Structure:
CAS RN: 35225-79-7
CAS Name: (1E,4E)-1,5-diphenyl-3-penta-1,4-dienone
OPENEYE Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
IUPAC Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
SYSTEMATIC NAME: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
MOLECULAR FORMULA: C17H14O
MOLECULAR WEIGHT: 234.29246
SMILES: C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2
Structure:
CAS RN: 538-58-9
CAS Name: (1E,4E)-1,5-diphenyl-3-penta-1,4-dienone
OPENEYE Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
IUPAC Name: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
SYSTEMATIC NAME: (1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
MOLECULAR FORMULA: C17H14O
MOLECULAR WEIGHT: 234.29246
SMILES: C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2
Structure:
CAS RN: 4098-06-0
CAS Name: acetic acid [(2R,3R,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl ester
OPENEYE Name: [(2R,3R,4R)-3,4-diacetoxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
IUPAC Name: [(2R,3R,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl acetate
SYSTEMATIC NAME: [(2R,3R,4R)-3,4-diacetyloxy-3,4-dihydro-2H-pyran-2-yl]methyl ethanoate
MOLECULAR FORMULA: C12H16O7
MOLECULAR WEIGHT: 272.25124
SMILES: CC(=O)OC[C@@H]1[C@@H]([C@@H](C=CO1)OC(=O)C)OC(=O)C
Structure:
CAS RN: 23356-96-9
CAS Name: [(2S)-2-pyrrolidinyl]methanol
OPENEYE Name: [(2S)-pyrrolidin-2-yl]methanol
IUPAC Name: [(2S)-pyrrolidin-2-yl]methanol
SYSTEMATIC NAME: [(2S)-pyrrolidin-2-yl]methanol
MOLECULAR FORMULA: C5H11NO
MOLECULAR WEIGHT: 101.14694
SMILES: C1C[C@H](NC1)CO
Structure:
CAS RN: 2286-56-8
CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate
IUPAC Name: ethyl (E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate
MOLECULAR FORMULA: C13H11NO4
MOLECULAR WEIGHT: 245.23074
SMILES: CCOC(=O)/C(=C/C1=CC2=C(C=C1)OCO2)/C#N
Structure:
CAS RN: 838-95-9
CAS Name: N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline
OPENEYE Name: N,N-dimethyl-4-[(E)-styryl]aniline
IUPAC Name: N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline
SYSTEMATIC NAME: N,N-dimethyl-4-[(E)-2-phenylethenyl]aniline
MOLECULAR FORMULA: C16H17N
MOLECULAR WEIGHT: 223.31288
SMILES: CN(C)C1=CC=C(C=C1)/C=C/C2=CC=CC=C2
Structure:
CAS RN: 6843-49-8
CAS Name: (5S)-5-methyl-5-phenylimidazolidine-2,4-dione
OPENEYE Name: (5S)-5-methyl-5-phenyl-imidazolidine-2,4-dione
IUPAC Name: (5S)-5-methyl-5-phenylimidazolidine-2,4-dione
SYSTEMATIC NAME: (5S)-5-methyl-5-phenyl-imidazolidine-2,4-dione
MOLECULAR FORMULA: C10H10N2O2
MOLECULAR WEIGHT: 190.1986
SMILES: C[C@@]1(C(=O)NC(=O)N1)C2=CC=CC=C2
Structure:
CAS RN: 3579-85-9
CAS Name: (E)-N-(4-hydroxyphenyl)-3-phenyl-2-propenamide
OPENEYE Name: (E)-N-(4-hydroxyphenyl)-3-phenyl-prop-2-enamide
IUPAC Name: (E)-N-(4-hydroxyphenyl)-3-phenylprop-2-enamide
SYSTEMATIC NAME: (E)-N-(4-hydroxyphenyl)-3-phenyl-prop-2-enamide
MOLECULAR FORMULA: C15H13NO2
MOLECULAR WEIGHT: 239.26922
SMILES: C1=CC=C(C=C1)/C=C/C(=O)NC2=CC=C(C=C2)O
Structure:
CAS RN: 497-76-7
CAS Name: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
OPENEYE Name: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)tetrahydropyran-3,4,5-triol
IUPAC Name: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
SYSTEMATIC NAME: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(4-oxidanylphenoxy)oxane-3,4,5-triol
MOLECULAR FORMULA: C12H16O7
MOLECULAR WEIGHT: 272.25124
SMILES: C1=CC(=CC=C1O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O
Structure:
CAS RN: 71735-17-6
CAS Name: (2-methoxyphenyl)-thiophen-2-ylmethanone
OPENEYE Name: (2-methoxyphenyl)-(2-thienyl)methanone
IUPAC Name: (2-methoxyphenyl)-thiophen-2-ylmethanone
SYSTEMATIC NAME: (2-methoxyphenyl)-thiophen-2-yl-methanone
MOLECULAR FORMULA: C12H10O2S
MOLECULAR WEIGHT: 218.2716
SMILES: COC1=CC=CC=C1C(=O)C2=CC=CS2
Structure:
CAS RN: 94610-82-9
CAS Name: 2-fluoro-4-methoxybenzonitrile
OPENEYE Name: 2-fluoro-4-methoxy-benzonitrile
IUPAC Name: 2-fluoro-4-methoxybenzonitrile
SYSTEMATIC NAME: 2-fluoranyl-4-methoxy-benzenecarbonitrile
MOLECULAR FORMULA: C8H6FNO
MOLECULAR WEIGHT: 151.137743
SMILES: COC1=CC(=C(C=C1)C#N)F
Structure:
CAS RN: 50820-65-0
CAS Name: 1H-indole-6-carboxylic acid methyl ester
OPENEYE Name: methyl 1H-indole-6-carboxylate
IUPAC Name: methyl 1H-indole-6-carboxylate
SYSTEMATIC NAME: methyl 1H-indole-6-carboxylate
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: COC(=O)C1=CC2=C(C=C1)C=CN2
Structure:
CAS RN: 1204-32-6
CAS Name: 1-methyl-6-indolecarboxylic acid methyl ester
OPENEYE Name: methyl 1-methylindole-6-carboxylate
IUPAC Name: methyl 1-methylindole-6-carboxylate
SYSTEMATIC NAME: methyl 1-methylindole-6-carboxylate
MOLECULAR FORMULA: C11H11NO2
MOLECULAR WEIGHT: 189.21054
SMILES: CN1C=CC2=C1C=C(C=C2)C(=O)OC
Structure:
CAS RN: 49714-52-5
CAS Name: 2,2,3-trimethylbutanoic acid
OPENEYE Name: 2,2,3-trimethylbutanoic acid
IUPAC Name: 2,2,3-trimethylbutanoic acid
SYSTEMATIC NAME: 2,2,3-trimethylbutanoic acid
MOLECULAR FORMULA: C7H14O2
MOLECULAR WEIGHT: 130.18486
SMILES: CC(C)C(C)(C)C(=O)O
Structure:
CAS RN: 31930-34-4
CAS Name: (E)-3-bromo-2-propenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-bromoprop-2-enoate
IUPAC Name: ethyl (E)-3-bromoprop-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-bromanylprop-2-enoate
MOLECULAR FORMULA: C5H7BrO2
MOLECULAR WEIGHT: 179.01188
SMILES: CCOC(=O)/C=C/Br
Structure:
CAS RN: 28281-76-7
CAS Name: 5-methoxyisobenzofuran-1,3-dione
OPENEYE Name: 5-methoxyisobenzofuran-1,3-dione
IUPAC Name: 5-methoxy-2-benzofuran-1,3-dione
SYSTEMATIC NAME: 5-methoxy-2-benzofuran-1,3-dione
MOLECULAR FORMULA: C9H6O4
MOLECULAR WEIGHT: 178.14154
SMILES: COC1=CC2=C(C=C1)C(=O)OC2=O
Structure:
CAS RN: 18880-04-1
CAS Name: 4-(bromomethyl)-1,2-dichlorobenzene
OPENEYE Name: 4-(bromomethyl)-1,2-dichloro-benzene
IUPAC Name: 4-(bromomethyl)-1,2-dichlorobenzene
SYSTEMATIC NAME: 4-(bromomethyl)-1,2-bis(chloranyl)benzene
MOLECULAR FORMULA: C7H5BrCl2
MOLECULAR WEIGHT: 239.9246
SMILES: C1=CC(=C(C=C1CBr)Cl)Cl
Structure:
CAS RN: 6828-35-9
CAS Name: 5-chloro-2-iodoaniline
OPENEYE Name: 5-chloro-2-iodo-aniline
IUPAC Name: 5-chloro-2-iodoaniline
SYSTEMATIC NAME: 5-chloranyl-2-iodanyl-aniline
MOLECULAR FORMULA: C6H5ClIN
MOLECULAR WEIGHT: 253.46807
SMILES: C1=CC(=C(C=C1Cl)N)I
Structure:
CAS RN: 4652-27-1
CAS Name: (E)-4-methoxy-3-buten-2-one
OPENEYE Name: (E)-4-methoxybut-3-en-2-one
IUPAC Name: (E)-4-methoxybut-3-en-2-one
SYSTEMATIC NAME: (E)-4-methoxybut-3-en-2-one
MOLECULAR FORMULA: C5H8O2
MOLECULAR WEIGHT: 100.11582
SMILES: CC(=O)/C=C/OC
Structure:
CAS RN: 99163-12-9
CAS Name: 4-pyridin-4-ylbenzaldehyde
OPENEYE Name: 4-(4-pyridyl)benzaldehyde
IUPAC Name: 4-pyridin-4-ylbenzaldehyde
SYSTEMATIC NAME: 4-pyridin-4-ylbenzaldehyde
MOLECULAR FORMULA: C12H9NO
MOLECULAR WEIGHT: 183.20596
SMILES: C1=CC(=CC=C1C=O)C2=CC=NC=C2
Structure:
CAS RN: 6754-58-1
CAS Name: (E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-(4-hydroxyphenyl)-1-[6-methoxy-3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]prop-2-en-1-one
MOLECULAR FORMULA: C21H22O5
MOLECULAR WEIGHT: 354.39638
SMILES: CC(=CCC1=C(C=C(C(=C1O)C(=O)/C=C/C2=CC=C(C=C2)O)OC)O)C
Structure:
CAS RN: 14686-13-6
CAS Name: (E)-2-heptene
OPENEYE Name: (E)-hept-2-ene
IUPAC Name: (E)-hept-2-ene
SYSTEMATIC NAME: (E)-hept-2-ene
MOLECULAR FORMULA: C7H14
MOLECULAR WEIGHT: 98.18606
SMILES: CCCC/C=C/C
Structure:
CAS RN: 592-77-8
CAS Name: (E)-2-heptene
OPENEYE Name: (E)-hept-2-ene
IUPAC Name: (E)-hept-2-ene
SYSTEMATIC NAME: (E)-hept-2-ene
MOLECULAR FORMULA: C7H14
MOLECULAR WEIGHT: 98.18606
SMILES: CCCC/C=C/C
Structure:
CAS RN: 25264-93-1
CAS Name: (E)-2-hexene
OPENEYE Name: (E)-hex-2-ene
IUPAC Name: (E)-hex-2-ene
SYSTEMATIC NAME: (E)-hex-2-ene
MOLECULAR FORMULA: C6H12
MOLECULAR WEIGHT: 84.15948
SMILES: CCC/C=C/C
Structure:
CAS RN: 4050-45-7
CAS Name: (E)-2-hexene
OPENEYE Name: (E)-hex-2-ene
IUPAC Name: (E)-hex-2-ene
SYSTEMATIC NAME: (E)-hex-2-ene
MOLECULAR FORMULA: C6H12
MOLECULAR WEIGHT: 84.15948
SMILES: CCC/C=C/C
Structure:
CAS RN: 26266-02-4
CAS Name: (E)-2-hexene
OPENEYE Name: (E)-hex-2-ene
IUPAC Name: (E)-hex-2-ene
SYSTEMATIC NAME: (E)-hex-2-ene
MOLECULAR FORMULA: C6H12
MOLECULAR WEIGHT: 84.15948
SMILES: CCC/C=C/C
Structure:
CAS RN: 9016-80-2
CAS Name: (E)-2-hexene
OPENEYE Name: (E)-hex-2-ene
IUPAC Name: (E)-hex-2-ene
SYSTEMATIC NAME: (E)-hex-2-ene
MOLECULAR FORMULA: C6H12
MOLECULAR WEIGHT: 84.15948
SMILES: CCC/C=C/C
Structure:
CAS RN: 590-14-7
CAS Name: (E)-1-bromo-1-propene
OPENEYE Name: (E)-1-bromoprop-1-ene
IUPAC Name: (E)-1-bromoprop-1-ene
SYSTEMATIC NAME: (E)-1-bromanylprop-1-ene
MOLECULAR FORMULA: C3H5Br
MOLECULAR WEIGHT: 120.9758
SMILES: C/C=C/Br
Structure:
CAS RN: 590-15-8
CAS Name: (E)-1-bromo-1-propene
OPENEYE Name: (E)-1-bromoprop-1-ene
IUPAC Name: (E)-1-bromoprop-1-ene
SYSTEMATIC NAME: (E)-1-bromanylprop-1-ene
MOLECULAR FORMULA: C3H5Br
MOLECULAR WEIGHT: 120.9758
SMILES: C/C=C/Br
Structure:
CAS RN: 1694-20-8
CAS Name: 1-nitro-4-[(E)-2-phenylethenyl]benzene
OPENEYE Name: 1-nitro-4-[(E)-styryl]benzene
IUPAC Name: 1-nitro-4-[(E)-2-phenylethenyl]benzene
SYSTEMATIC NAME: 1-nitro-4-[(E)-2-phenylethenyl]benzene
MOLECULAR FORMULA: C14H11NO2
MOLECULAR WEIGHT: 225.24264
SMILES: C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
CAS RN: 6624-53-9
CAS Name: 1-nitro-4-[(E)-2-phenylethenyl]benzene
OPENEYE Name: 1-nitro-4-[(E)-styryl]benzene
IUPAC Name: 1-nitro-4-[(E)-2-phenylethenyl]benzene
SYSTEMATIC NAME: 1-nitro-4-[(E)-2-phenylethenyl]benzene
MOLECULAR FORMULA: C14H11NO2
MOLECULAR WEIGHT: 225.24264
SMILES: C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]
Structure:
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