CAS RN: 51256-02-1
CAS Name: N-(4-acetylphenyl)-3-chloropropanamide
OPENEYE Name: N-(4-acetylphenyl)-3-chloro-propanamide
IUPAC Name: N-(4-acetylphenyl)-3-chloropropanamide
SYSTEMATIC NAME: 3-chloranyl-N-(4-ethanoylphenyl)propanamide
MOLECULAR FORMULA: C11H12ClNO2
MOLECULAR WEIGHT: 225.67148
SMILES: CC(=O)C1=CC=C(C=C1)NC(=O)CCCl
Structure:
CAS RN: 30742-59-7
CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzaldehyde
OPENEYE Name: 5-nitro-2-pyrrolidin-1-yl-benzaldehyde
IUPAC Name: 5-nitro-2-pyrrolidin-1-ylbenzaldehyde
SYSTEMATIC NAME: 5-nitro-2-pyrrolidin-1-yl-benzaldehyde
MOLECULAR FORMULA: C11H12N2O3
MOLECULAR WEIGHT: 220.22458
SMILES: C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C=O
Structure:
CAS RN: 102440-39-1
CAS Name: 3-[3-(4-morpholinyl)propylamino]propanenitrile
OPENEYE Name: 3-(3-morpholinopropylamino)propanenitrile
IUPAC Name: 3-(3-morpholin-4-ylpropylamino)propanenitrile
SYSTEMATIC NAME: 3-(3-morpholin-4-ylpropylamino)propanenitrile
MOLECULAR FORMULA: C10H19N3O
MOLECULAR WEIGHT: 197.27736
SMILES: C1COCCN1CCCNCCC#N
Structure:
CAS RN: 5022-48-0
CAS Name: 5-chloro-2-hydroxybenzohydrazide
OPENEYE Name: 5-chloro-2-hydroxy-benzohydrazide
IUPAC Name: 5-chloro-2-hydroxybenzohydrazide
SYSTEMATIC NAME: 5-chloranyl-2-oxidanyl-benzohydrazide
MOLECULAR FORMULA: C7H7ClN2O2
MOLECULAR WEIGHT: 186.59568
SMILES: C1=CC(=C(C=C1Cl)C(=O)NN)O
Structure:
CAS RN: 186093-87-8
CAS Name: 2-[(4-bromophenyl)-oxomethyl]-5-benzofurancarboxaldehyde
OPENEYE Name: 2-(4-bromobenzoyl)benzofuran-5-carbaldehyde
IUPAC Name: 2-(4-bromobenzoyl)-1-benzofuran-5-carbaldehyde
SYSTEMATIC NAME: 2-(4-bromophenyl)carbonyl-1-benzofuran-5-carbaldehyde
MOLECULAR FORMULA: C16H9BrO3
MOLECULAR WEIGHT: 329.14486
SMILES: C1=CC(=CC=C1C(=O)C2=CC3=C(O2)C=CC(=C3)C=O)Br
Structure:
CAS RN: 65423-28-1
CAS Name: 2-chloro-N-(phenylmethyl)-3-pyridinecarboxamide
OPENEYE Name: N-benzyl-2-chloro-pyridine-3-carboxamide
IUPAC Name: N-benzyl-2-chloropyridine-3-carboxamide
SYSTEMATIC NAME: 2-chloranyl-N-(phenylmethyl)pyridine-3-carboxamide
MOLECULAR FORMULA: C13H11ClN2O
MOLECULAR WEIGHT: 246.69224
SMILES: C1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)Cl
Structure:
CAS RN: 25131-60-6
CAS Name: 2-(2-isoquinolin-2-iumyl)-1-phenylethanone bromide
OPENEYE Name: 2-isoquinolin-2-ium-2-yl-1-phenyl-ethanone bromide
IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-phenylethanone bromide
SYSTEMATIC NAME: 2-isoquinolin-2-ium-2-yl-1-phenyl-ethanone bromide
MOLECULAR FORMULA: C17H14BrNO
MOLECULAR WEIGHT: 328.20316
SMILES: C1=CC=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2.[Br-]
Structure:
CAS RN: 101990-69-6
CAS Name: (2,6-dichloro-4-pyridinyl)methanol
OPENEYE Name: (2,6-dichloro-4-pyridyl)methanol
IUPAC Name: (2,6-dichloropyridin-4-yl)methanol
SYSTEMATIC NAME: [2,6-bis(chloranyl)pyridin-4-yl]methanol
MOLECULAR FORMULA: C6H5Cl2NO
MOLECULAR WEIGHT: 178.016
SMILES: C1=C(C=C(N=C1Cl)Cl)CO
Structure:
CAS RN: 156866-52-3
CAS Name: N-[(4-formylphenyl)methyl]carbamic acid tert-butyl ester
OPENEYE Name: tert-butyl N-[(4-formylphenyl)methyl]carbamate
IUPAC Name: tert-butyl N-[(4-formylphenyl)methyl]carbamate
SYSTEMATIC NAME: tert-butyl N-[(4-methanoylphenyl)methyl]carbamate
MOLECULAR FORMULA: C13H17NO3
MOLECULAR WEIGHT: 235.27898
SMILES: CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C=O
Structure:
CAS RN: 17826-04-9
CAS Name: 6-bromo-1H-indole-3-carboxaldehyde
OPENEYE Name: 6-bromo-1H-indole-3-carbaldehyde
IUPAC Name: 6-bromo-1H-indole-3-carbaldehyde
SYSTEMATIC NAME: 6-bromanyl-1H-indole-3-carbaldehyde
MOLECULAR FORMULA: C9H6BrNO
MOLECULAR WEIGHT: 224.05404
SMILES: C1=CC2=C(C=C1Br)NC=C2C=O
Structure:
CAS RN: 17841-68-8
CAS Name: 3-(aminomethyl)benzoic acid methyl ester hydrochloride
OPENEYE Name: methyl 3-(aminomethyl)benzoate hydrochloride
IUPAC Name: methyl 3-(aminomethyl)benzoate hydrochloride
SYSTEMATIC NAME: methyl 3-(aminomethyl)benzoate hydrochloride
MOLECULAR FORMULA: C9H12ClNO2
MOLECULAR WEIGHT: 201.65008
SMILES: COC(=O)C1=CC(=CC=C1)CN.Cl
Structure:
CAS RN: 845885-90-7
CAS Name: 4-fluoro-3-formylbenzoic acid
OPENEYE Name: 4-fluoro-3-formyl-benzoic acid
IUPAC Name: 4-fluoro-3-formylbenzoic acid
SYSTEMATIC NAME: 4-fluoranyl-3-methanoyl-benzoic acid
MOLECULAR FORMULA: C8H5FO3
MOLECULAR WEIGHT: 168.121903
SMILES: C1=CC(=C(C=C1C(=O)O)C=O)F
Structure:
CAS RN: 253120-47-7
CAS Name: 2-amino-3-methoxycarbonylbenzoic acid
OPENEYE Name: 2-amino-3-methoxycarbonyl-benzoic acid
IUPAC Name: 2-amino-3-methoxycarbonylbenzoic acid
SYSTEMATIC NAME: 2-azanyl-3-methoxycarbonyl-benzoic acid
MOLECULAR FORMULA: C9H9NO4
MOLECULAR WEIGHT: 195.17206
SMILES: COC(=O)C1=CC=CC(=C1N)C(=O)O
Structure:
CAS RN: 845885-88-3
CAS Name: 2-[5-methyl-2-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]-4-thiazolyl]acetic acid
OPENEYE Name: 2-[2-(1-tert-butoxycarbonyl-4-piperidyl)-5-methyl-thiazol-4-yl]acetic acid
IUPAC Name: 2-[5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid
SYSTEMATIC NAME: 2-[5-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-thiazol-4-yl]ethanoic acid
MOLECULAR FORMULA: C16H24N2O4S
MOLECULAR WEIGHT: 340.43776
SMILES: CC1=C(N=C(S1)C2CCN(CC2)C(=O)OC(C)(C)C)CC(=O)O
Structure:
CAS RN: 17200-30-5
CAS Name: 6-nitro-1,3-benzoxazole
OPENEYE Name: 6-nitro-1,3-benzoxazole
IUPAC Name: 6-nitro-1,3-benzoxazole
SYSTEMATIC NAME: 6-nitro-1,3-benzoxazole
MOLECULAR FORMULA: C7H4N2O3
MOLECULAR WEIGHT: 164.11826
SMILES: C1=CC2=C(C=C1[N+](=O)[O-])OC=N2
Structure:
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