Tuesday, November 1, 2011

http://ChemLookup.com Compounds




CAS RN: 78214-14-9
CAS Name: 2-[(E)-2-(3-methoxyphenyl)ethenyl]-3,1-benzoxazin-4-one
OPENEYE Name: 2-[(E)-2-(3-methoxyphenyl)vinyl]-3,1-benzoxazin-4-one
IUPAC Name: 2-[(E)-2-(3-methoxyphenyl)ethenyl]-3,1-benzoxazin-4-one
SYSTEMATIC NAME: 2-[(E)-2-(3-methoxyphenyl)ethenyl]-3,1-benzoxazin-4-one
MOLECULAR FORMULA: C17H13NO3
MOLECULAR WEIGHT: 279.29002
SMILES: COC1=CC=CC(=C1)/C=C/C2=NC3=CC=CC=C3C(=O)O2
Structure:

CAS RN: 78078-55-4
CAS Name: (5E)-5-[[(1R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methylidene]-2-sulfanylidene-4-thiazolidinone
OPENEYE Name: (5E)-5-[[(1R,4S)-3,3-dimethylnorbornan-2-yl]methylene]-2-thioxo-thiazolidin-4-one
IUPAC Name: (5E)-5-[[(1R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SYSTEMATIC NAME: (5E)-5-[[(1R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MOLECULAR FORMULA: C13H17NOS2
MOLECULAR WEIGHT: 267.41018
SMILES: CC1([C@H]2CC[C@H](C2)C1/C=C/3\C(=O)NC(=S)S3)C
Structure:

CAS RN: 77835-02-0
CAS Name: acetic acid [(Z)-3-(2-chlorophenyl)-2-nitroprop-2-enyl] ester
OPENEYE Name: [(Z)-3-(2-chlorophenyl)-2-nitro-allyl] acetate
IUPAC Name: [(Z)-3-(2-chlorophenyl)-2-nitroprop-2-enyl] acetate
SYSTEMATIC NAME: [(Z)-3-(2-chlorophenyl)-2-nitro-prop-2-enyl] ethanoate
MOLECULAR FORMULA: C11H10ClNO4
MOLECULAR WEIGHT: 255.6544
SMILES: CC(=O)OC/C(=C/C1=CC=CC=C1Cl)/[N+](=O)[O-]
Structure:

CAS RN: 77835-01-9
CAS Name: acetic acid [(Z)-3-(3-chlorophenyl)-2-nitroprop-2-enyl] ester
OPENEYE Name: [(Z)-3-(3-chlorophenyl)-2-nitro-allyl] acetate
IUPAC Name: [(Z)-3-(3-chlorophenyl)-2-nitroprop-2-enyl] acetate
SYSTEMATIC NAME: [(Z)-3-(3-chlorophenyl)-2-nitro-prop-2-enyl] ethanoate
MOLECULAR FORMULA: C11H10ClNO4
MOLECULAR WEIGHT: 255.6544
SMILES: CC(=O)OC/C(=C/C1=CC(=CC=C1)Cl)/[N+](=O)[O-]
Structure:

CAS RN: 77834-97-0
CAS Name: acetic acid [(Z)-3-(3-fluorophenyl)-2-nitroprop-2-enyl] ester
OPENEYE Name: [(Z)-3-(3-fluorophenyl)-2-nitro-allyl] acetate
IUPAC Name: [(Z)-3-(3-fluorophenyl)-2-nitroprop-2-enyl] acetate
SYSTEMATIC NAME: [(Z)-3-(3-fluorophenyl)-2-nitro-prop-2-enyl] ethanoate
MOLECULAR FORMULA: C11H10FNO4
MOLECULAR WEIGHT: 239.199803
SMILES: CC(=O)OC/C(=C/C1=CC(=CC=C1)F)/[N+](=O)[O-]
Structure:

CAS RN: 77834-90-3
CAS Name: acetic acid [(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl] ester
OPENEYE Name: [(Z)-3-(4-chlorophenyl)-2-nitro-allyl] acetate
IUPAC Name: [(Z)-3-(4-chlorophenyl)-2-nitroprop-2-enyl] acetate
SYSTEMATIC NAME: [(Z)-3-(4-chlorophenyl)-2-nitro-prop-2-enyl] ethanoate
MOLECULAR FORMULA: C11H10ClNO4
MOLECULAR WEIGHT: 255.6544
SMILES: CC(=O)OC/C(=C/C1=CC=C(C=C1)Cl)/[N+](=O)[O-]
Structure:

CAS RN: 77834-89-0
CAS Name: acetic acid [(Z)-3-(3,4-dimethoxyphenyl)-2-nitroprop-2-enyl] ester
OPENEYE Name: [(Z)-3-(3,4-dimethoxyphenyl)-2-nitro-allyl] acetate
IUPAC Name: [(Z)-3-(3,4-dimethoxyphenyl)-2-nitroprop-2-enyl] acetate
SYSTEMATIC NAME: [(Z)-3-(3,4-dimethoxyphenyl)-2-nitro-prop-2-enyl] ethanoate
MOLECULAR FORMULA: C13H15NO6
MOLECULAR WEIGHT: 281.2613
SMILES: CC(=O)OC/C(=C/C1=CC(=C(C=C1)OC)OC)/[N+](=O)[O-]
Structure:

CAS RN: 77834-88-9
CAS Name: acetic acid [(Z)-3-(4-methoxyphenyl)-2-nitroprop-2-enyl] ester
OPENEYE Name: [(Z)-3-(4-methoxyphenyl)-2-nitro-allyl] acetate
IUPAC Name: [(Z)-3-(4-methoxyphenyl)-2-nitroprop-2-enyl] acetate
SYSTEMATIC NAME: [(Z)-3-(4-methoxyphenyl)-2-nitro-prop-2-enyl] ethanoate
MOLECULAR FORMULA: C12H13NO5
MOLECULAR WEIGHT: 251.23532
SMILES: CC(=O)OC/C(=C/C1=CC=C(C=C1)OC)/[N+](=O)[O-]
Structure:

CAS RN: 77834-79-8
CAS Name: acetic acid [(Z)-2-nitro-3-(4-nitrophenyl)prop-2-enyl] ester
OPENEYE Name: [(Z)-2-nitro-3-(4-nitrophenyl)allyl] acetate
IUPAC Name: [(Z)-2-nitro-3-(4-nitrophenyl)prop-2-enyl] acetate
SYSTEMATIC NAME: [(Z)-2-nitro-3-(4-nitrophenyl)prop-2-enyl] ethanoate
MOLECULAR FORMULA: C11H10N2O6
MOLECULAR WEIGHT: 266.2069
SMILES: CC(=O)OC/C(=C/C1=CC=C(C=C1)[N+](=O)[O-])/[N+](=O)[O-]
Structure:

CAS RN: 77809-94-0
CAS Name: (4S,5E)-4-hydroxy-2-methyl-5-(2-oxoethylidene)-1-cyclopentenecarboxaldehyde
OPENEYE Name: (4S,5E)-4-hydroxy-2-methyl-5-(2-oxoethylidene)cyclopentene-1-carbaldehyde
IUPAC Name: (4S,5E)-4-hydroxy-2-methyl-5-(2-oxoethylidene)cyclopentene-1-carbaldehyde
SYSTEMATIC NAME: (4S,5E)-2-methyl-4-oxidanyl-5-(2-oxidanylideneethylidene)cyclopentene-1-carbaldehyde
MOLECULAR FORMULA: C9H10O3
MOLECULAR WEIGHT: 166.1739
SMILES: CC1=C(/C(=C\C=O)/[C@H](C1)O)C=O
Structure:

CAS RN: 77784-06-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H35NO6
MOLECULAR WEIGHT: 481.5806
SMILES: CC1C/C=C/C2C(C(=C)C(C3C2(CC4(C(O4)C(C1=O)(C)O)O)C(=O)NC3CC5=CC=CC=C5)C)O
Structure:

CAS RN: 77782-91-3
CAS Name: (2S)-5,7-dihydroxy-2-[4-[2,4,6-trihydroxy-3-[(E)-3-(4-hydroxyphenyl)-1-oxoprop-2-enyl]-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]phenoxy]phenyl]-3,4-dihydro-2H-1-benzopyran-4-one
OPENEYE Name: (2S)-5,7-dihydroxy-2-[4-[2,4,6-trihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]phenoxy]phenyl]chroman-4-one
IUPAC Name: (2S)-5,7-dihydroxy-2-[4-[2,4,6-trihydroxy-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]phenoxy]phenyl]-2,3-dihydrochromen-4-one
SYSTEMATIC NAME: (2S)-2-[4-[3-[(2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2,4,6-tris(oxidanyl)phenoxy]phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
MOLECULAR FORMULA: C36H32O15
MOLECULAR WEIGHT: 704.63028
SMILES: C1[C@H](OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)OC4=C(C(=C(C(=C4O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)C(=O)/C=C/C6=CC=C(C=C6)O)O
Structure:

CAS RN: 77663-54-8
CAS Name: (3Z,5R,6S,12R)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
OPENEYE Name: (3Z,5R,6S,12R)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
IUPAC Name: (3Z,5R,6S,12R)-5,6-dihydroxy-12-methyl-1-oxacyclododec-3-en-2-one
SYSTEMATIC NAME: (3Z,5R,6S,12R)-12-methyl-5,6-bis(oxidanyl)-1-oxacyclododec-3-en-2-one
MOLECULAR FORMULA: C12H20O4
MOLECULAR WEIGHT: 228.2848
SMILES: C[C@@H]1CCCCC[C@@H]([C@@H](/C=C\C(=O)O1)O)O
Structure:

CAS RN: 77655-62-0
CAS Name: 2-chloro-1-[(2-chlorophenyl)methyl]-3-[(E)-2-nitroethenyl]indole
OPENEYE Name: 2-chloro-1-[(2-chlorophenyl)methyl]-3-[(E)-2-nitrovinyl]indole
IUPAC Name: 2-chloro-1-[(2-chlorophenyl)methyl]-3-[(E)-2-nitroethenyl]indole
SYSTEMATIC NAME: 2-chloranyl-1-[(2-chlorophenyl)methyl]-3-[(E)-2-nitroethenyl]indole
MOLECULAR FORMULA: C17H12Cl2N2O2
MOLECULAR WEIGHT: 347.19538
SMILES: C1=CC=C(C(=C1)CN2C3=CC=CC=C3C(=C2Cl)/C=C/[N+](=O)[O-])Cl
Structure:

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