CAS RN: 53820-85-2
CAS Name: 4-nitrobenzoic acid 3H-inden-1-yl ester
OPENEYE Name: 3H-inden-1-yl 4-nitrobenzoate
IUPAC Name: 3H-inden-1-yl 4-nitrobenzoate
SYSTEMATIC NAME: 3H-inden-1-yl 4-nitrobenzoate
MOLECULAR FORMULA: C16H11NO4
MOLECULAR WEIGHT: 281.26284
SMILES: C1C=C(C2=CC=CC=C21)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 2471-87-6
CAS Name: 3H-inden-1-ylmethanol
OPENEYE Name: 3H-inden-1-ylmethanol
IUPAC Name: 3H-inden-1-ylmethanol
SYSTEMATIC NAME: 3H-inden-1-ylmethanol
MOLECULAR FORMULA: C10H10O
MOLECULAR WEIGHT: 146.1858
SMILES: C1C=C(C2=CC=CC=C21)CO
Structure:
CAS RN: 64666-41-7
CAS Name: 1-methyl-1-indenol
OPENEYE Name: 1-methylinden-1-ol
IUPAC Name: 1-methylinden-1-ol
SYSTEMATIC NAME: 1-methylinden-1-ol
MOLECULAR FORMULA: C10H10O
MOLECULAR WEIGHT: 146.1858
SMILES: CC1(C=CC2=CC=CC=C21)O
Structure:
CAS RN: 97-71-2
CAS Name: 2-phenyl-1-cyclopropanecarboxylic acid ethyl ester
OPENEYE Name: ethyl 2-phenylcyclopropanecarboxylate
IUPAC Name: ethyl 2-phenylcyclopropane-1-carboxylate
SYSTEMATIC NAME: ethyl 2-phenylcyclopropane-1-carboxylate
MOLECULAR FORMULA: C12H14O2
MOLECULAR WEIGHT: 190.23836
SMILES: CCOC(=O)C1CC1C2=CC=CC=C2
Structure:
CAS RN: 51479-71-1
CAS Name: 2,2,2-trichloroethanimidic acid 3-phenylprop-2-enyl ester
OPENEYE Name: cinnamyl 2,2,2-trichloroethanimidate
IUPAC Name: 3-phenylprop-2-enyl 2,2,2-trichloroethanimidate
SYSTEMATIC NAME: 3-phenylprop-2-enyl 2,2,2-tris(chloranyl)ethanimidate
MOLECULAR FORMULA: C11H10Cl3NO
MOLECULAR WEIGHT: 278.5622
SMILES: C1=CC=C(C=C1)C=CCOC(=N)C(Cl)(Cl)Cl
Structure:
CAS RN: 51479-73-3
CAS Name: 2,2,2-trichloroethanimidic acid prop-2-enyl ester
OPENEYE Name: allyl 2,2,2-trichloroethanimidate
IUPAC Name: prop-2-enyl 2,2,2-trichloroethanimidate
SYSTEMATIC NAME: prop-2-enyl 2,2,2-tris(chloranyl)ethanimidate
MOLECULAR FORMULA: C5H6Cl3NO
MOLECULAR WEIGHT: 202.46624
SMILES: C=CCOC(=N)C(Cl)(Cl)Cl
Structure:
CAS RN: 51122-95-3
CAS Name: 3-prop-2-enoxycyclohexene
OPENEYE Name: 3-allyloxycyclohexene
IUPAC Name: 3-prop-2-enoxycyclohexene
SYSTEMATIC NAME: 3-prop-2-enoxycyclohexene
MOLECULAR FORMULA: C9H14O
MOLECULAR WEIGHT: 138.20686
SMILES: C=CCOC1CCCC=C1
Structure:
CAS RN: 51479-78-8
CAS Name: 2,2,2-trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide
OPENEYE Name: 2,2,2-trichloro-N-(1,5-dimethyl-1-vinyl-hex-4-enyl)acetamide
IUPAC Name: 2,2,2-trichloro-N-(3,7-dimethylocta-1,6-dien-3-yl)acetamide
SYSTEMATIC NAME: 2,2,2-tris(chloranyl)-N-(3,7-dimethylocta-1,6-dien-3-yl)ethanamide
MOLECULAR FORMULA: C12H18Cl3NO
MOLECULAR WEIGHT: 298.63642
SMILES: CC(=CCCC(C)(C=C)NC(=O)C(Cl)(Cl)Cl)C
Structure:
CAS RN: 38334-84-8
CAS Name: 7',7'-dichlorospiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]heptane]
OPENEYE Name: 7',7'-dichlorospiro[1,3-dioxolane-2,2'-norcarane]
IUPAC Name: 7',7'-dichlorospiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]heptane]
SYSTEMATIC NAME: 7',7'-bis(chloranyl)spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]heptane]
MOLECULAR FORMULA: C9H12Cl2O2
MOLECULAR WEIGHT: 223.09638
SMILES: C1CC2C(C2(Cl)Cl)C3(C1)OCCO3
Structure:
CAS RN: 5207-93-2
CAS Name: 7',7'-dichlorospiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]heptane]
OPENEYE Name: 7',7'-dichlorospiro[1,3-dioxolane-2,2'-norcarane]
IUPAC Name: 7',7'-dichlorospiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]heptane]
SYSTEMATIC NAME: 7',7'-bis(chloranyl)spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]heptane]
MOLECULAR FORMULA: C9H12Cl2O2
MOLECULAR WEIGHT: 223.09638
SMILES: C1CC2C(C2(Cl)Cl)C3(C1)OCCO3
Structure:
CAS RN: 13861-23-9
CAS Name: 2-propenoic acid but-3-ynyl ester
OPENEYE Name: but-3-ynyl prop-2-enoate
IUPAC Name: but-3-ynyl prop-2-enoate
SYSTEMATIC NAME: but-3-ynyl prop-2-enoate
MOLECULAR FORMULA: C7H8O2
MOLECULAR WEIGHT: 124.13722
SMILES: C=CC(=O)OCCC#C
Structure:
CAS RN: 33769-98-1
CAS Name: cyclopropane-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester
OPENEYE Name: O1-ethyl O2-methyl cyclopropane-1,2-dicarboxylate
IUPAC Name: 1-O-ethyl 2-O-methyl cyclopropane-1,2-dicarboxylate
SYSTEMATIC NAME: O1-ethyl O2-methyl cyclopropane-1,2-dicarboxylate
MOLECULAR FORMULA: C8H12O4
MOLECULAR WEIGHT: 172.17848
SMILES: CCOC(=O)C1CC1C(=O)OC
Structure:
CAS RN: 52194-65-7
CAS Name: 2-methyl-1-cyclopropanecarbonyl chloride
OPENEYE Name: 2-methylcyclopropanecarbonyl chloride
IUPAC Name: 2-methylcyclopropane-1-carbonyl chloride
SYSTEMATIC NAME: 2-methylcyclopropane-1-carbonyl chloride
MOLECULAR FORMULA: C5H7ClO
MOLECULAR WEIGHT: 118.56148
SMILES: CC1CC1C(=O)Cl
Structure:
CAS RN: 27126-42-7
CAS Name: 4-bromopentanoic acid ethyl ester
OPENEYE Name: ethyl 4-bromopentanoate
IUPAC Name: ethyl 4-bromopentanoate
SYSTEMATIC NAME: ethyl 4-bromanylpentanoate
MOLECULAR FORMULA: C7H13BrO2
MOLECULAR WEIGHT: 209.08092
SMILES: CCOC(=O)CCC(C)Br
Structure:
CAS RN: 61165-55-7
CAS Name: 4-(dimethylamino)benzenesulfonic acid octan-2-yl ester
OPENEYE Name: 1-methylheptyl 4-(dimethylamino)benzenesulfonate
IUPAC Name: octan-2-yl 4-(dimethylamino)benzenesulfonate
SYSTEMATIC NAME: octan-2-yl 4-(dimethylamino)benzenesulfonate
MOLECULAR FORMULA: C16H27NO3S
MOLECULAR WEIGHT: 313.45548
SMILES: CCCCCCC(C)OS(=O)(=O)C1=CC=C(C=C1)N(C)C
Structure:
CAS RN: 67448-61-7
CAS Name: 6-(1-ethoxyethoxy)-1-hexyne
OPENEYE Name: 6-(1-ethoxyethoxy)hex-1-yne
IUPAC Name: 6-(1-ethoxyethoxy)hex-1-yne
SYSTEMATIC NAME: 6-(1-ethoxyethoxy)hex-1-yne
MOLECULAR FORMULA: C10H18O2
MOLECULAR WEIGHT: 170.24872
SMILES: CCOC(C)OCCCCC#C
Structure:
CAS RN: 54074-85-0
CAS Name: 3-hydroxypentanoic acid ethyl ester
OPENEYE Name: ethyl 3-hydroxypentanoate
IUPAC Name: ethyl 3-hydroxypentanoate
SYSTEMATIC NAME: ethyl 3-oxidanylpentanoate
MOLECULAR FORMULA: C7H14O3
MOLECULAR WEIGHT: 146.18426
SMILES: CCC(CC(=O)OCC)O
Structure:
CAS RN: 13559-71-2
CAS Name: 6,6-dichloro-2,4-dimethoxy-3-oxabicyclo[3.1.0]hexane
OPENEYE Name: 6,6-dichloro-2,4-dimethoxy-3-oxabicyclo[3.1.0]hexane
IUPAC Name: 6,6-dichloro-2,4-dimethoxy-3-oxabicyclo[3.1.0]hexane
SYSTEMATIC NAME: 6,6-bis(chloranyl)-2,4-dimethoxy-3-oxabicyclo[3.1.0]hexane
MOLECULAR FORMULA: C7H10Cl2O3
MOLECULAR WEIGHT: 213.0585
SMILES: COC1C2C(C2(Cl)Cl)C(O1)OC
Structure:
CAS RN: 39574-37-3
CAS Name: (3,4-dimethoxyphenyl)-(3-methyl-2-pyridinyl)methanone
OPENEYE Name: (3,4-dimethoxyphenyl)-(3-methyl-2-pyridyl)methanone
IUPAC Name: (3,4-dimethoxyphenyl)-(3-methylpyridin-2-yl)methanone
SYSTEMATIC NAME: (3,4-dimethoxyphenyl)-(3-methylpyridin-2-yl)methanone
MOLECULAR FORMULA: C15H15NO3
MOLECULAR WEIGHT: 257.2845
SMILES: CC1=C(N=CC=C1)C(=O)C2=CC(=C(C=C2)OC)OC
Structure:
CAS RN: 3979-57-5
CAS Name: 2-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
OPENEYE Name: 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)-1-methyl-ethyl]acetamide
IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]acetamide
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]ethanamide
MOLECULAR FORMULA: C21H27NO5
MOLECULAR WEIGHT: 373.44278
SMILES: CC(CC1=CC(=C(C=C1)OC)OC)NC(=O)CC2=CC(=C(C=C2)OC)OC
Structure:
CAS RN: 57963-35-6
CAS Name: 2-[[2-[4-[(2,4-diamino-6-pteridinyl)methylamino]phenyl]-1-oxoethyl]amino]butanedioic acid
OPENEYE Name: 2-[[2-[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]acetyl]amino]butanedioic acid
IUPAC Name: 2-[[2-[4-[(2,4-diaminopteridin-6-yl)methylamino]phenyl]acetyl]amino]butanedioic acid
SYSTEMATIC NAME: 2-[2-[4-[[2,4-bis(azanyl)pteridin-6-yl]methylamino]phenyl]ethanoylamino]butanedioic acid
MOLECULAR FORMULA: C19H20N8O5
MOLECULAR WEIGHT: 440.4127
SMILES: C1=CC(=CC=C1CC(=O)NC(CC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N
Structure:
CAS RN: 60106-96-9
CAS Name: 2-chloro-N-(2-chloroethyl)-N-[diethylamino(methoxy)phosphoryl]ethanamine
OPENEYE Name: 2-chloro-N-(2-chloroethyl)-N-[diethylamino(methoxy)phosphoryl]ethanamine
IUPAC Name: 2-chloro-N-(2-chloroethyl)-N-[diethylamino(methoxy)phosphoryl]ethanamine
SYSTEMATIC NAME: 2-chloranyl-N-(2-chloroethyl)-N-[diethylamino(methoxy)phosphoryl]ethanamine
MOLECULAR FORMULA: C9H21Cl2N2O2P
MOLECULAR WEIGHT: 291.155001
SMILES: CCN(CC)P(=O)(N(CCCl)CCCl)OC
Structure:
CAS RN: 82585-88-4
CAS Name: N-[6-amino-4-[[2-hydroxy-3-(4-methoxy-N-methylanilino)propyl]amino]-5-nitro-2-pyridinyl]carbamic acid ethyl ester
OPENEYE Name: ethyl N-[6-amino-4-[[2-hydroxy-3-(4-methoxy-N-methyl-anilino)propyl]amino]-5-nitro-2-pyridyl]carbamate
IUPAC Name: ethyl N-[6-amino-4-[[2-hydroxy-3-(4-methoxy-N-methylanilino)propyl]amino]-5-nitropyridin-2-yl]carbamate
SYSTEMATIC NAME: ethyl N-[6-azanyl-4-[[3-[(4-methoxyphenyl)-methyl-amino]-2-oxidanyl-propyl]amino]-5-nitro-pyridin-2-yl]carbamate
MOLECULAR FORMULA: C19H26N6O6
MOLECULAR WEIGHT: 434.44634
SMILES: CCOC(=O)NC1=NC(=C(C(=C1)NCC(CN(C)C2=CC=C(C=C2)OC)O)[N+](=O)[O-])N
Structure:
CAS RN: 51637-64-0
CAS Name: 1-(1-adamantyl)-3-cyclohexyl-1-hydroxyurea
OPENEYE Name: 1-(1-adamantyl)-3-cyclohexyl-1-hydroxy-urea
IUPAC Name: 1-(1-adamantyl)-3-cyclohexyl-1-hydroxyurea
SYSTEMATIC NAME: 1-(1-adamantyl)-3-cyclohexyl-1-oxidanyl-urea
MOLECULAR FORMULA: C17H28N2O2
MOLECULAR WEIGHT: 292.41642
SMILES: C1CCC(CC1)NC(=O)N(C23CC4CC(C2)CC(C4)C3)O
Structure:
CAS RN: 31463-23-7
CAS Name: N-(1-adamantyl)hydroxylamine
OPENEYE Name: N-(1-adamantyl)hydroxylamine
IUPAC Name: N-(1-adamantyl)hydroxylamine
SYSTEMATIC NAME: N-(1-adamantyl)hydroxylamine
MOLECULAR FORMULA: C10H17NO
MOLECULAR WEIGHT: 167.24808
SMILES: C1C2CC3CC1CC(C2)(C3)NO
Structure:
CAS RN: 42066-84-2
CAS Name: N-(1-methylcyclohexyl)hydroxylamine
OPENEYE Name: N-(1-methylcyclohexyl)hydroxylamine
IUPAC Name: N-(1-methylcyclohexyl)hydroxylamine
SYSTEMATIC NAME: N-(1-methylcyclohexyl)hydroxylamine
MOLECULAR FORMULA: C7H15NO
MOLECULAR WEIGHT: 129.2001
SMILES: CC1(CCCCC1)NO
Structure:
CAS RN: 60282-77-1
CAS Name: 4-(methylthio)-3-nitropyridine-2,6-diamine
OPENEYE Name: 4-methylsulfanyl-3-nitro-pyridine-2,6-diamine
IUPAC Name: 4-methylsulfanyl-3-nitropyridine-2,6-diamine
SYSTEMATIC NAME: 4-methylsulfanyl-3-nitro-pyridine-2,6-diamine
MOLECULAR FORMULA: C6H8N4O2S
MOLECULAR WEIGHT: 200.21832
SMILES: CSC1=CC(=NC(=C1[N+](=O)[O-])N)N
Structure:
CAS RN: 42936-80-1
CAS Name: acetic acid [3,4,5-triacetyloxy-6-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-2-oxanyl]methyl ester
OPENEYE Name: [3,4,5-triacetoxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]tetrahydropyran-2-yl]methyl acetate
IUPAC Name: [3,4,5-triacetyloxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-2-yl]methyl acetate
SYSTEMATIC NAME: [3,4,5-triacetyloxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-2-yl]methyl ethanoate
MOLECULAR FORMULA: C17H24ClN3O11
MOLECULAR WEIGHT: 481.83896
SMILES: CC(=O)OCC1C(C(C(C(O1)NC(=O)N(CCCl)N=O)OC(=O)C)OC(=O)C)OC(=O)C
Structure:
CAS RN: 55102-43-7
CAS Name: acetic acid [4,5-diacetyloxy-6-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-3-oxanyl] ester
OPENEYE Name: [4,5-diacetoxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]tetrahydropyran-3-yl] acetate
IUPAC Name: [4,5-diacetyloxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-3-yl] acetate
SYSTEMATIC NAME: [4,5-diacetyloxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-3-yl] ethanoate
MOLECULAR FORMULA: C14H20ClN3O9
MOLECULAR WEIGHT: 409.7763
SMILES: CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC(=O)N(CCCl)N=O
Structure:
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