Thursday, July 26, 2012

http://ChemLookup.com Compounds




CAS RN: 13985-56-3
CAS Name: 1,2-ditert-butylhydrazine
OPENEYE Name: 1,2-ditert-butylhydrazine
IUPAC Name: 1,2-ditert-butylhydrazine
SYSTEMATIC NAME: 1,2-ditert-butyldiazane
MOLECULAR FORMULA: C8H20N2
MOLECULAR WEIGHT: 144.2578
SMILES: CC(C)(C)NNC(C)(C)C
Structure:

CAS RN: 303180-11-2
CAS Name: 6-(2-hydrazinylphenyl)-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-(2-hydrazinophenyl)-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-(2-hydrazinylphenyl)-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-(2-diazanylphenyl)-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C9H11N7
MOLECULAR WEIGHT: 217.23054
SMILES: C1=CC=C(C(=C1)C2=NC(=NC(=N2)N)N)NN
Structure:

CAS RN: 29573-87-3
CAS Name: 6-(2-nitrophenyl)-1,3,5-triazine-2,4-diamine
OPENEYE Name: 6-(2-nitrophenyl)-1,3,5-triazine-2,4-diamine
IUPAC Name: 6-(2-nitrophenyl)-1,3,5-triazine-2,4-diamine
SYSTEMATIC NAME: 6-(2-nitrophenyl)-1,3,5-triazine-2,4-diamine
MOLECULAR FORMULA: C9H8N6O2
MOLECULAR WEIGHT: 232.19882
SMILES: C1=CC=C(C(=C1)C2=NC(=NC(=N2)N)N)[N+](=O)[O-]
Structure:

CAS RN: 30101-69-0
CAS Name: 4-imino-[1,3,5]triazino[1,2-c][1,2,3]benzotriazin-2-amine
OPENEYE Name: 4-imino-[1,3,5]triazino[1,2-c][1,2,3]benzotriazin-2-amine
IUPAC Name: 4-imino-[1,3,5]triazino[1,2-c][1,2,3]benzotriazin-2-amine
SYSTEMATIC NAME: 4-azanylidene-[1,3,5]triazino[1,2-c][1,2,3]benzotriazin-2-amine
MOLECULAR FORMULA: C9H7N7
MOLECULAR WEIGHT: 213.19878
SMILES: C1=CC=C2C(=C1)C3=NC(=NC(=N)N3N=N2)N
Structure:

CAS RN: 30315-47-0
CAS Name: 4-imino-[1,3,5]triazino[1,2-c][1,2,3]benzotriazin-2-amine
OPENEYE Name: 4-imino-[1,3,5]triazino[1,2-c][1,2,3]benzotriazin-2-amine
IUPAC Name: 4-imino-[1,3,5]triazino[1,2-c][1,2,3]benzotriazin-2-amine
SYSTEMATIC NAME: 4-azanylidene-[1,3,5]triazino[1,2-c][1,2,3]benzotriazin-2-amine
MOLECULAR FORMULA: C9H7N7
MOLECULAR WEIGHT: 213.19878
SMILES: C1=CC=C2C(=C1)C3=NC(=NC(=N)N3N=N2)N
Structure:

CAS RN: 52745-04-7
CAS Name: 3-(2-nitrophenyl)-1,2,3-benzotriazin-4-imine
OPENEYE Name: 3-(2-nitrophenyl)-1,2,3-benzotriazin-4-imine
IUPAC Name: 3-(2-nitrophenyl)-1,2,3-benzotriazin-4-imine
SYSTEMATIC NAME: 3-(2-nitrophenyl)-1,2,3-benzotriazin-4-imine
MOLECULAR FORMULA: C13H9N5O2
MOLECULAR WEIGHT: 267.24286
SMILES: C1=CC=C2C(=C1)C(=N)N(N=N2)C3=CC=CC=C3[N+](=O)[O-]
Structure:

CAS RN: 53081-34-8
CAS Name: 3-(2-nitrophenyl)-1,2,3-benzotriazin-4-imine
OPENEYE Name: 3-(2-nitrophenyl)-1,2,3-benzotriazin-4-imine
IUPAC Name: 3-(2-nitrophenyl)-1,2,3-benzotriazin-4-imine
SYSTEMATIC NAME: 3-(2-nitrophenyl)-1,2,3-benzotriazin-4-imine
MOLECULAR FORMULA: C13H9N5O2
MOLECULAR WEIGHT: 267.24286
SMILES: C1=CC=C2C(=C1)C(=N)N(N=N2)C3=CC=CC=C3[N+](=O)[O-]
Structure:

CAS RN: 29588-04-3
CAS Name: 2-(2-nitroanilino)azobenzonitrile
OPENEYE Name: 2-(2-nitroanilino)azobenzonitrile
IUPAC Name: 2-[(2-nitroanilino)diazenyl]benzonitrile
SYSTEMATIC NAME: 2-[[(2-nitrophenyl)amino]diazenyl]benzenecarbonitrile
MOLECULAR FORMULA: C13H9N5O2
MOLECULAR WEIGHT: 267.24286
SMILES: C1=CC=C(C(=C1)C#N)N=NNC2=CC=CC=C2[N+](=O)[O-]
Structure:

CAS RN: 29588-07-6
CAS Name: 2-(2-cyano-N-methylanilino)azobenzonitrile
OPENEYE Name: 2-(2-cyano-N-methyl-anilino)azobenzonitrile
IUPAC Name: 2-[(2-cyano-N-methylanilino)diazenyl]benzonitrile
SYSTEMATIC NAME: 2-[[(2-cyanophenyl)-methyl-amino]diazenyl]benzenecarbonitrile
MOLECULAR FORMULA: C15H11N5
MOLECULAR WEIGHT: 261.28134
SMILES: CN(C1=CC=CC=C1C#N)N=NC2=CC=CC=C2C#N
Structure:

CAS RN: 70063-65-9
CAS Name: acetic acid (8-hydroxy-9,10-dioxo-1,4,4a,9a-tetrahydroanthracen-1-yl) ester
OPENEYE Name: (8-hydroxy-9,10-dioxo-1,4,4a,9a-tetrahydroanthracen-1-yl) acetate
IUPAC Name: (8-hydroxy-9,10-dioxo-1,4,4a,9a-tetrahydroanthracen-1-yl) acetate
SYSTEMATIC NAME: [8-oxidanyl-9,10-bis(oxidanylidene)-1,4,4a,9a-tetrahydroanthracen-1-yl] ethanoate
MOLECULAR FORMULA: C16H14O5
MOLECULAR WEIGHT: 286.27936
SMILES: CC(=O)OC1C=CCC2C1C(=O)C3=C(C2=O)C=CC=C3O
Structure:

CAS RN: 23520-98-1
CAS Name: 5-[6-[[9-[4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-purinyl]disulfanyl]-9-purinyl]-2-(hydroxymethyl)-3-oxolanol
OPENEYE Name: 5-[6-[[9-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]purin-6-yl]disulfanyl]purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol
IUPAC Name: 5-[6-[[9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]disulfanyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
SYSTEMATIC NAME: 2-(hydroxymethyl)-5-[6-[[9-[5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]purin-6-yl]disulfanyl]purin-9-yl]oxolan-3-ol
MOLECULAR FORMULA: C20H22N8O6S2
MOLECULAR WEIGHT: 534.56868
SMILES: C1C(C(OC1N2C=NC3=C2N=CN=C3SSC4=NC=NC5=C4N=CN5C6CC(C(O6)CO)O)CO)O
Structure:

CAS RN: 3479-47-8
CAS Name: 4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid
OPENEYE Name: 4-benzyloxy-2-(benzyloxycarbonylamino)-4-oxo-butanoic acid
IUPAC Name: 4-oxo-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid
SYSTEMATIC NAME: 4-oxidanylidene-4-phenylmethoxy-2-(phenylmethoxycarbonylamino)butanoic acid
MOLECULAR FORMULA: C19H19NO6
MOLECULAR WEIGHT: 357.35726
SMILES: C1=CC=C(C=C1)COC(=O)CC(C(=O)O)NC(=O)OCC2=CC=CC=C2
Structure:

CAS RN: 2901-76-0
CAS Name: 2-benzamido-3-phenylpropanoic acid
OPENEYE Name: 2-benzamido-3-phenyl-propanoic acid
IUPAC Name: 2-benzamido-3-phenylpropanoic acid
SYSTEMATIC NAME: 2-benzamido-3-phenyl-propanoic acid
MOLECULAR FORMULA: C16H15NO3
MOLECULAR WEIGHT: 269.2952
SMILES: C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2
Structure:

CAS RN: 2566-22-5
CAS Name: 2-benzamido-3-phenylpropanoic acid
OPENEYE Name: 2-benzamido-3-phenyl-propanoic acid
IUPAC Name: 2-benzamido-3-phenylpropanoic acid
SYSTEMATIC NAME: 2-benzamido-3-phenyl-propanoic acid
MOLECULAR FORMULA: C16H15NO3
MOLECULAR WEIGHT: 269.2952
SMILES: C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2=CC=CC=C2
Structure:

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