CAS RN: 1017968-66-9
CAS Name: 3-[(Z)-2-bromo-3-ethoxy-3-oxoprop-1-enyl]-2-methyl-1-indolecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 3-[(Z)-2-bromo-3-ethoxy-3-oxo-prop-1-enyl]-2-methyl-indole-1-carboxylate
IUPAC Name: tert-butyl 3-[(Z)-2-bromo-3-ethoxy-3-oxoprop-1-enyl]-2-methylindole-1-carboxylate
SYSTEMATIC NAME: tert-butyl 3-[(Z)-2-bromanyl-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-methyl-indole-1-carboxylate
MOLECULAR FORMULA: C19H22BrNO4
MOLECULAR WEIGHT: 408.28628
SMILES: CCOC(=O)/C(=C/C1=C(N(C2=CC=CC=C21)C(=O)OC(C)(C)C)C)/Br
Structure:
CAS RN: 1017238-94-6
CAS Name: 13-(4-chlorophenyl)-3,3-dimethyl-4,13-dihydro-2H-indazolo[1,2-b]phthalazine-1,6,11-trione
OPENEYE Name: 13-(4-chlorophenyl)-3,3-dimethyl-4,13-dihydro-2H-indazolo[1,2-b]phthalazine-1,6,11-trione
IUPAC Name: 13-(4-chlorophenyl)-3,3-dimethyl-4,13-dihydro-2H-indazolo[1,2-b]phthalazine-1,6,11-trione
SYSTEMATIC NAME: 13-(4-chlorophenyl)-3,3-dimethyl-4,13-dihydro-2H-indazolo[1,2-b]phthalazine-1,6,11-trione
MOLECULAR FORMULA: C23H19ClN2O3
MOLECULAR WEIGHT: 406.86156
SMILES: CC1(CC2=C(C(N3N2C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)Cl)C(=O)C1)C
Structure:
CAS RN: 58-86-6
CAS Name: (2R,4R,5R)-oxane-2,3,4,5-tetrol
OPENEYE Name: (2R,4R,5R)-tetrahydropyran-2,3,4,5-tetrol
IUPAC Name: (2R,4R,5R)-oxane-2,3,4,5-tetrol
SYSTEMATIC NAME: (2R,4R,5R)-oxane-2,3,4,5-tetrol
MOLECULAR FORMULA: C5H10O5
MOLECULAR WEIGHT: 150.1299
SMILES: C1[C@H]([C@H](C([C@@H](O1)O)O)O)O
Structure:
CAS RN: 10030-85-0
CAS Name: (2R,4S,5R)-6-methyloxane-2,3,4,5-tetrol hydrate
OPENEYE Name: (2R,4S,5R)-6-methyltetrahydropyran-2,3,4,5-tetrol hydrate
IUPAC Name: (2R,4S,5R)-6-methyloxane-2,3,4,5-tetrol hydrate
SYSTEMATIC NAME: (2R,4S,5R)-6-methyloxane-2,3,4,5-tetrol hydrate
MOLECULAR FORMULA: C6H14O6
MOLECULAR WEIGHT: 182.17176
SMILES: CC1[C@@H]([C@@H](C([C@@H](O1)O)O)O)O.O
Structure:
CAS RN: 119205-39-9
CAS Name: sodium 2-phenyl-1H-indole-5-sulfonate
OPENEYE Name: sodium 2-phenyl-1H-indole-5-sulfonate
IUPAC Name: sodium 2-phenyl-1H-indole-5-sulfonate
SYSTEMATIC NAME: sodium 2-phenyl-1H-indole-5-sulfonate
MOLECULAR FORMULA: C14H10NNaO3S
MOLECULAR WEIGHT: 295.28887
SMILES: C1=CC=C(C=C1)C2=CC3=C(N2)C=CC(=C3)S(=O)(=O)[O-].[Na+]
Structure:
CAS RN: 84434-15-1
CAS Name: 2-(7-methyl-1H-indol-3-yl)ethanamine; oxalic acid
OPENEYE Name: 2-(7-methyl-1H-indol-3-yl)ethanamine; oxalic acid
IUPAC Name: 2-(7-methyl-1H-indol-3-yl)ethanamine; oxalic acid
SYSTEMATIC NAME: ethanedioic acid; 2-(7-methyl-1H-indol-3-yl)ethanamine
MOLECULAR FORMULA: C13H16N2O4
MOLECULAR WEIGHT: 264.27714
SMILES: CC1=CC=CC2=C1NC=C2CCN.C(=O)(C(=O)O)O
Structure:
CAS RN: 14702-62-6
CAS Name: 1-(1H-indol-3-yl)-2-propanamine hydrochloride
OPENEYE Name: 1-(1H-indol-3-yl)propan-2-amine hydrochloride
IUPAC Name: 1-(1H-indol-3-yl)propan-2-amine hydrochloride
SYSTEMATIC NAME: 1-(1H-indol-3-yl)propan-2-amine hydrochloride
MOLECULAR FORMULA: C11H15ClN2
MOLECULAR WEIGHT: 210.7032
SMILES: CC(CC1=CNC2=CC=CC=C21)N.Cl
Structure:
CAS RN: 16732-82-4
CAS Name: 7-methyl-1H-indole-2-carboxylic acid methyl ester
OPENEYE Name: methyl 7-methyl-1H-indole-2-carboxylate
IUPAC Name: methyl 7-methyl-1H-indole-2-carboxylate
SYSTEMATIC NAME: methyl 7-methyl-1H-indole-2-carboxylate
MOLECULAR FORMULA: C11H11NO2
MOLECULAR WEIGHT: 189.21054
SMILES: CC1=CC=CC2=C1NC(=C2)C(=O)OC
Structure:
CAS RN: 63699-78-5
CAS Name: ammonium (2S)-2-amino-5-(3-carboxy-4-nitroanilino)-5-oxopentanoate
OPENEYE Name: ammonium (2S)-2-amino-5-(3-carboxy-4-nitro-anilino)-5-oxo-pentanoate
IUPAC Name: azanium (2S)-2-amino-5-(3-carboxy-4-nitroanilino)-5-oxopentanoate
SYSTEMATIC NAME: azanium (2S)-2-azanyl-5-[(3-carboxy-4-nitro-phenyl)amino]-5-oxidanylidene-pentanoate
MOLECULAR FORMULA: C12H16N4O7
MOLECULAR WEIGHT: 328.27804
SMILES: C1=CC(=C(C=C1NC(=O)CC[C@@H](C(=O)[O-])N)C(=O)O)[N+](=O)[O-].[NH4+]
Structure:
CAS RN: 84282-11-1
CAS Name: disodium (4-methyl-2-oxo-1-benzopyran-7-yl) [(4-methyl-2-oxo-1-benzopyran-7-yl)oxy-oxidophosphoryl] phosphate
OPENEYE Name: disodium (4-methyl-2-oxo-chromen-7-yl) [(4-methyl-2-oxo-chromen-7-yl)oxy-oxido-phosphoryl] phosphate
IUPAC Name: disodium (4-methyl-2-oxochromen-7-yl) [(4-methyl-2-oxochromen-7-yl)oxy-oxidophosphoryl] phosphate
SYSTEMATIC NAME: disodium (4-methyl-2-oxidanylidene-chromen-7-yl) [(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-oxidanidyl-phosphoryl] phosphate
MOLECULAR FORMULA: C20H14Na2O11P2
MOLECULAR WEIGHT: 538.245622
SMILES: CC1=CC(=O)OC2=C1C=CC(=C2)OP(=O)([O-])OP(=O)([O-])OC3=CC4=C(C=C3)C(=CC(=O)O4)C.[Na+].[Na+]
Structure:
CAS RN: 928038-44-2
CAS Name: 3-azetidinylmethanol hydrochloride
OPENEYE Name: azetidin-3-ylmethanol hydrochloride
IUPAC Name: azetidin-3-ylmethanol hydrochloride
SYSTEMATIC NAME: azetidin-3-ylmethanol hydrochloride
MOLECULAR FORMULA: C4H10ClNO
MOLECULAR WEIGHT: 123.5813
SMILES: C1C(CN1)CO.Cl
Structure:
CAS RN: 877878-47-2
CAS Name: (6Z)-4-[(Z)-3H-1,3-benzothiazol-2-ylidene(hydroxy)methyl]-6-[hydroxy-(4-phenoxyphenyl)methylidene]cyclohex-4-ene-1,2,3-trione
OPENEYE Name: (6Z)-4-[(Z)-3H-1,3-benzothiazol-2-ylidene(hydroxy)methyl]-6-[hydroxy-(4-phenoxyphenyl)methylene]cyclohex-4-ene-1,2,3-trione
IUPAC Name: (6Z)-4-[(Z)-3H-1,3-benzothiazol-2-ylidene(hydroxy)methyl]-6-[hydroxy-(4-phenoxyphenyl)methylidene]cyclohex-4-ene-1,2,3-trione
SYSTEMATIC NAME: (6Z)-4-[(Z)-3H-1,3-benzothiazol-2-ylidene(oxidanyl)methyl]-6-[oxidanyl-(4-phenoxyphenyl)methylidene]cyclohex-4-ene-1,2,3-trione
MOLECULAR FORMULA: C27H17NO6S
MOLECULAR WEIGHT: 483.49198
SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)/C(=C/3\C=C(C(=O)C(=O)C3=O)/C(=C/4\NC5=CC=CC=C5S4)/O)/O
Structure:
CAS RN: 289656-82-2
CAS Name: 2,2-bis(4-fluorophenyl)-2-phenylacetonitrile
OPENEYE Name: 2,2-bis(4-fluorophenyl)-2-phenyl-acetonitrile
IUPAC Name: 2,2-bis(4-fluorophenyl)-2-phenylacetonitrile
SYSTEMATIC NAME: 2,2-bis(4-fluorophenyl)-2-phenyl-ethanenitrile
MOLECULAR FORMULA: C20H13F2N
MOLECULAR WEIGHT: 305.320726
SMILES: C1=CC=C(C=C1)C(C#N)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F
Structure:
CAS RN: 24645-67-8
CAS Name: 2-ammonio-3-[(2-ammonio-2-carboxylatoethyl)disulfanyl]propanoate
OPENEYE Name: 2-azaniumyl-3-[(2-azaniumyl-2-carboxylato-ethyl)disulfanyl]propanoate
IUPAC Name: 2-azaniumyl-3-[(2-azaniumyl-2-carboxylatoethyl)disulfanyl]propanoate
SYSTEMATIC NAME: 2-azaniumyl-3-[(2-azaniumyl-3-oxidanidyl-3-oxidanylidene-propyl)disulfanyl]propanoate
MOLECULAR FORMULA: C6H12N2O4S2
MOLECULAR WEIGHT: 240.30048
SMILES: C(C(C(=O)[O-])[NH3+])SSCC(C(=O)[O-])[NH3+]
Structure:
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