CAS RN: 179331-04-5
CAS Name: 7-amino-1H-3,1-benzoxazine-2,4-dione
OPENEYE Name: 7-amino-1H-3,1-benzoxazine-2,4-dione
IUPAC Name: 7-amino-1H-3,1-benzoxazine-2,4-dione
SYSTEMATIC NAME: 7-azanyl-1H-3,1-benzoxazine-2,4-dione
MOLECULAR FORMULA: C8H6N2O3
MOLECULAR WEIGHT: 178.14484
SMILES: C1=CC2=C(C=C1N)NC(=O)OC2=O
Structure:
CAS RN: 886362-21-6
CAS Name: 4,6-dichloro-2-methyl-1H-indole
OPENEYE Name: 4,6-dichloro-2-methyl-1H-indole
IUPAC Name: 4,6-dichloro-2-methyl-1H-indole
SYSTEMATIC NAME: 4,6-bis(chloranyl)-2-methyl-1H-indole
MOLECULAR FORMULA: C9H7Cl2N
MOLECULAR WEIGHT: 200.06458
SMILES: CC1=CC2=C(C=C(C=C2N1)Cl)Cl
Structure:
CAS RN: 182315-28-2
CAS Name: (4-aminophenyl)methylurea
OPENEYE Name: (4-aminophenyl)methylurea
IUPAC Name: (4-aminophenyl)methylurea
SYSTEMATIC NAME: 1-[(4-aminophenyl)methyl]urea
MOLECULAR FORMULA: C8H11N3O
MOLECULAR WEIGHT: 165.19244
SMILES: C1=CC(=CC=C1CNC(=O)N)N
Structure:
CAS RN: 63175-96-2
CAS Name: (2S)-4-(5,6-dichloro-3-ethyl-2-methyl-1-benzimidazol-1-iumyl)-2-butanesulfonate
OPENEYE Name: (2S)-4-(5,6-dichloro-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)butane-2-sulfonate
IUPAC Name: (2S)-4-(5,6-dichloro-3-ethyl-2-methylbenzimidazol-1-ium-1-yl)butane-2-sulfonate
SYSTEMATIC NAME: (2S)-4-[5,6-bis(chloranyl)-3-ethyl-2-methyl-benzimidazol-1-ium-1-yl]butane-2-sulfonate
MOLECULAR FORMULA: C14H18Cl2N2O3S
MOLECULAR WEIGHT: 365.27532
SMILES: CCN1C(=[N+](C2=CC(=C(C=C21)Cl)Cl)CC[C@H](C)S(=O)(=O)[O-])C
Structure:
CAS RN: 51973-36-5
CAS Name: tert-butyl-[(1-hydroxy-2,2,5,5-tetramethyl-4-imidazolyl)methylidene]ammonium
OPENEYE Name: tert-butyl-[(1-hydroxy-2,2,5,5-tetramethyl-imidazol-4-yl)methylene]ammonium
IUPAC Name: tert-butyl-[(1-hydroxy-2,2,5,5-tetramethylimidazol-4-yl)methylidene]azanium
SYSTEMATIC NAME: tert-butyl-[(2,2,5,5-tetramethyl-1-oxidanyl-imidazol-4-yl)methylidene]azanium
MOLECULAR FORMULA: C12H24N3O+
MOLECULAR WEIGHT: 226.33846
SMILES: CC1(C(=NC(N1O)(C)C)C=[NH+]C(C)(C)C)C
Structure:
CAS RN: 120341-04-0
CAS Name: 1-amino-2-benzimidazolesulfonate
OPENEYE Name: 1-aminobenzimidazole-2-sulfonate
IUPAC Name: 1-aminobenzimidazole-2-sulfonate
SYSTEMATIC NAME: 1-azanylbenzimidazole-2-sulfonate
MOLECULAR FORMULA: C7H6N3O3S-
MOLECULAR WEIGHT: 212.20584
SMILES: C1=CC=C2C(=C1)N=C(N2N)S(=O)(=O)[O-]
Structure:
CAS RN: 340188-50-3
CAS Name: [(1R)-1-cyclohexyl-3-ethoxy-3-oxopropyl]ammonium
OPENEYE Name: [(1R)-1-cyclohexyl-3-ethoxy-3-oxo-propyl]ammonium
IUPAC Name: [(1R)-1-cyclohexyl-3-ethoxy-3-oxopropyl]azanium
SYSTEMATIC NAME: [(1R)-1-cyclohexyl-3-ethoxy-3-oxidanylidene-propyl]azanium
MOLECULAR FORMULA: C11H22NO2+
MOLECULAR WEIGHT: 200.29788
SMILES: CCOC(=O)C[C@H](C1CCCCC1)[NH3+]
Structure:
CAS RN: 740806-54-6
CAS Name: (2R)-2-(phenylmethoxymethyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl (2R)-2-(benzyloxymethyl)piperazin-4-ium-1-carboxylate
IUPAC Name: tert-butyl (2R)-2-(phenylmethoxymethyl)piperazin-4-ium-1-carboxylate
SYSTEMATIC NAME: tert-butyl (2R)-2-(phenylmethoxymethyl)piperazin-4-ium-1-carboxylate
MOLECULAR FORMULA: C17H27N2O3+
MOLECULAR WEIGHT: 307.40788
SMILES: CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1COCC2=CC=CC=C2
Structure:
CAS RN: 52200-20-1
CAS Name: (E)-3-(dimethylamino)-2-[1-naphthalenyl(oxo)methyl]-2-propenenitrile
OPENEYE Name: (E)-3-(dimethylamino)-2-(naphthalene-1-carbonyl)prop-2-enenitrile
IUPAC Name: (E)-3-(dimethylamino)-2-(naphthalene-1-carbonyl)prop-2-enenitrile
SYSTEMATIC NAME: (E)-3-(dimethylamino)-2-naphthalen-1-ylcarbonyl-prop-2-enenitrile
MOLECULAR FORMULA: C16H14N2O
MOLECULAR WEIGHT: 250.29516
SMILES: CN(C)/C=C(\C#N)/C(=O)C1=CC=CC2=CC=CC=C21
Structure:
CAS RN: 138716-53-7
CAS Name: 3-(dimethylamino)-2-[oxo-(4-phenylphenyl)methyl]-2-propenenitrile
OPENEYE Name: 3-(dimethylamino)-2-(4-phenylbenzoyl)prop-2-enenitrile
IUPAC Name: 3-(dimethylamino)-2-(4-phenylbenzoyl)prop-2-enenitrile
SYSTEMATIC NAME: 3-(dimethylamino)-2-(4-phenylphenyl)carbonyl-prop-2-enenitrile
MOLECULAR FORMULA: C18H16N2O
MOLECULAR WEIGHT: 276.33244
SMILES: CN(C)C=C(C#N)C(=O)C1=CC=C(C=C1)C2=CC=CC=C2
Structure:
CAS RN: 96219-78-2
CAS Name: 2-[1,3-benzodioxol-5-yl(oxo)methyl]-3-(dimethylamino)-2-propenenitrile
OPENEYE Name: 2-(1,3-benzodioxole-5-carbonyl)-3-(dimethylamino)prop-2-enenitrile
IUPAC Name: 2-(1,3-benzodioxole-5-carbonyl)-3-(dimethylamino)prop-2-enenitrile
SYSTEMATIC NAME: 2-(1,3-benzodioxol-5-ylcarbonyl)-3-(dimethylamino)prop-2-enenitrile
MOLECULAR FORMULA: C13H12N2O3
MOLECULAR WEIGHT: 244.24598
SMILES: CN(C)C=C(C#N)C(=O)C1=CC2=C(C=C1)OCO2
Structure:
CAS RN: 96232-41-6
CAS Name: 3-(dimethylamino)-2-[(4-methylphenyl)-oxomethyl]-2-propenenitrile
OPENEYE Name: 3-(dimethylamino)-2-(4-methylbenzoyl)prop-2-enenitrile
IUPAC Name: 3-(dimethylamino)-2-(4-methylbenzoyl)prop-2-enenitrile
SYSTEMATIC NAME: 3-(dimethylamino)-2-(4-methylphenyl)carbonyl-prop-2-enenitrile
MOLECULAR FORMULA: C13H14N2O
MOLECULAR WEIGHT: 214.26306
SMILES: CC1=CC=C(C=C1)C(=O)C(=CN(C)C)C#N
Structure:
CAS RN: 52200-18-7
CAS Name: 2-[(4-bromophenyl)-oxomethyl]-3-(dimethylamino)-2-propenenitrile
OPENEYE Name: 2-(4-bromobenzoyl)-3-(dimethylamino)prop-2-enenitrile
IUPAC Name: 2-(4-bromobenzoyl)-3-(dimethylamino)prop-2-enenitrile
SYSTEMATIC NAME: 2-(4-bromophenyl)carbonyl-3-(dimethylamino)prop-2-enenitrile
MOLECULAR FORMULA: C12H11BrN2O
MOLECULAR WEIGHT: 279.13254
SMILES: CN(C)C=C(C#N)C(=O)C1=CC=C(C=C1)Br
Structure:
CAS RN: 52200-16-5
CAS Name: 2-[(4-chlorophenyl)-oxomethyl]-3-(dimethylamino)-2-propenenitrile
OPENEYE Name: 2-(4-chlorobenzoyl)-3-(dimethylamino)prop-2-enenitrile
IUPAC Name: 2-(4-chlorobenzoyl)-3-(dimethylamino)prop-2-enenitrile
SYSTEMATIC NAME: 2-(4-chlorophenyl)carbonyl-3-(dimethylamino)prop-2-enenitrile
MOLECULAR FORMULA: C12H11ClN2O
MOLECULAR WEIGHT: 234.68154
SMILES: CN(C)C=C(C#N)C(=O)C1=CC=C(C=C1)Cl
Structure:
CAS RN: 141764-88-7
CAS Name: 4-chloro-2-(4-methyl-1-piperazin-4-iumyl)-5-thiazolecarboxaldehyde
OPENEYE Name: 4-chloro-2-(4-methylpiperazin-4-ium-1-yl)thiazole-5-carbaldehyde
IUPAC Name: 4-chloro-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole-5-carbaldehyde
SYSTEMATIC NAME: 4-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole-5-carbaldehyde
MOLECULAR FORMULA: C9H13ClN3OS+
MOLECULAR WEIGHT: 246.73702
SMILES: C[NH+]1CCN(CC1)C2=NC(=C(S2)C=O)Cl
Structure:
CAS RN: 3883-95-2
CAS Name: 3-bromo-2-hydroxybenzoate
OPENEYE Name: 3-bromo-2-hydroxy-benzoate
IUPAC Name: 3-bromo-2-hydroxybenzoate
SYSTEMATIC NAME: 3-bromanyl-2-oxidanyl-benzoate
MOLECULAR FORMULA: C7H4BrO3-
MOLECULAR WEIGHT: 216.00886
SMILES: C1=CC(=C(C(=C1)Br)O)C(=O)[O-]
Structure:
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