CAS RN: 114430-15-8
CAS Name: acetic acid [(Z)-3-(3-acetyloxy-5-methoxyphenyl)-2-nitroprop-2-enyl] ester
OPENEYE Name: [(Z)-3-(3-acetoxy-5-methoxy-phenyl)-2-nitro-allyl] acetate
IUPAC Name: [(Z)-3-(3-acetyloxy-5-methoxyphenyl)-2-nitroprop-2-enyl] acetate
SYSTEMATIC NAME: [(Z)-3-(3-acetyloxy-5-methoxy-phenyl)-2-nitro-prop-2-enyl] ethanoate
MOLECULAR FORMULA: C14H15NO7
MOLECULAR WEIGHT: 309.2714
SMILES: CC(=O)OC/C(=C/C1=CC(=CC(=C1)OC)OC(=O)C)/[N+](=O)[O-]
Structure:
CAS RN: 114430-14-7
CAS Name: acetic acid [(Z)-3-(3-methoxyphenyl)-2-nitroprop-2-enyl] ester
OPENEYE Name: [(Z)-3-(3-methoxyphenyl)-2-nitro-allyl] acetate
IUPAC Name: [(Z)-3-(3-methoxyphenyl)-2-nitroprop-2-enyl] acetate
SYSTEMATIC NAME: [(Z)-3-(3-methoxyphenyl)-2-nitro-prop-2-enyl] ethanoate
MOLECULAR FORMULA: C12H13NO5
MOLECULAR WEIGHT: 251.23532
SMILES: CC(=O)OC/C(=C/C1=CC(=CC=C1)OC)/[N+](=O)[O-]
Structure:
CAS RN: 114430-13-6
CAS Name: acetic acid [(Z)-3-(2-methoxyphenyl)-2-nitroprop-2-enyl] ester
OPENEYE Name: [(Z)-3-(2-methoxyphenyl)-2-nitro-allyl] acetate
IUPAC Name: [(Z)-3-(2-methoxyphenyl)-2-nitroprop-2-enyl] acetate
SYSTEMATIC NAME: [(Z)-3-(2-methoxyphenyl)-2-nitro-prop-2-enyl] ethanoate
MOLECULAR FORMULA: C12H13NO5
MOLECULAR WEIGHT: 251.23532
SMILES: CC(=O)OC/C(=C/C1=CC=CC=C1OC)/[N+](=O)[O-]
Structure:
CAS RN: 114430-12-5
CAS Name: acetic acid [(Z)-3-(4-methylphenyl)-2-nitroprop-2-enyl] ester
OPENEYE Name: [(Z)-2-nitro-3-(p-tolyl)allyl] acetate
IUPAC Name: [(Z)-3-(4-methylphenyl)-2-nitroprop-2-enyl] acetate
SYSTEMATIC NAME: [(Z)-3-(4-methylphenyl)-2-nitro-prop-2-enyl] ethanoate
MOLECULAR FORMULA: C12H13NO4
MOLECULAR WEIGHT: 235.23592
SMILES: CC1=CC=C(C=C1)/C=C(/COC(=O)C)\[N+](=O)[O-]
Structure:
CAS RN: 114430-11-4
CAS Name: acetic acid [(Z)-3-(3-methylphenyl)-2-nitroprop-2-enyl] ester
OPENEYE Name: [(Z)-3-(m-tolyl)-2-nitro-allyl] acetate
IUPAC Name: [(Z)-3-(3-methylphenyl)-2-nitroprop-2-enyl] acetate
SYSTEMATIC NAME: [(Z)-3-(3-methylphenyl)-2-nitro-prop-2-enyl] ethanoate
MOLECULAR FORMULA: C12H13NO4
MOLECULAR WEIGHT: 235.23592
SMILES: CC1=CC=CC(=C1)/C=C(/COC(=O)C)\[N+](=O)[O-]
Structure:
CAS RN: 114430-10-3
CAS Name: acetic acid [(Z)-3-(2-methylphenyl)-2-nitroprop-2-enyl] ester
OPENEYE Name: [(Z)-2-nitro-3-(o-tolyl)allyl] acetate
IUPAC Name: [(Z)-3-(2-methylphenyl)-2-nitroprop-2-enyl] acetate
SYSTEMATIC NAME: [(Z)-3-(2-methylphenyl)-2-nitro-prop-2-enyl] ethanoate
MOLECULAR FORMULA: C12H13NO4
MOLECULAR WEIGHT: 235.23592
SMILES: CC1=CC=CC=C1/C=C(/COC(=O)C)\[N+](=O)[O-]
Structure:
CAS RN: 114430-07-8
CAS Name: acetic acid [(Z)-3-(4-bromophenyl)-2-nitroprop-2-enyl] ester
OPENEYE Name: [(Z)-3-(4-bromophenyl)-2-nitro-allyl] acetate
IUPAC Name: [(Z)-3-(4-bromophenyl)-2-nitroprop-2-enyl] acetate
SYSTEMATIC NAME: [(Z)-3-(4-bromophenyl)-2-nitro-prop-2-enyl] ethanoate
MOLECULAR FORMULA: C11H10BrNO4
MOLECULAR WEIGHT: 300.1054
SMILES: CC(=O)OC/C(=C/C1=CC=C(C=C1)Br)/[N+](=O)[O-]
Structure:
CAS RN: 114129-89-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C60H92O26
MOLECULAR WEIGHT: 1229.35688
SMILES: CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC67C(C(CC6(C5=CCC4C3(C)C)C)OC(=O)C)C(OC7=O)(C)/C=C/C=C(C)C)C)O)O)OC8C(C(C(CO8)O)O)O)O)OC9C(C(C(C(O9)CO)O)OC1C(C(C(CO1)O)OC)O)O
Structure:
CAS RN: 114076-71-0
CAS Name: (1S,4Z,8Z,10R,12Z,14R)-10-hydroxy-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-triene-6,11-dione
OPENEYE Name: (1S,4Z,8Z,10R,12Z,14R)-10-hydroxy-4,8,12,15,15-pentamethyl-bicyclo[12.1.0]pentadeca-4,8,12-triene-6,11-dione
IUPAC Name: (1S,4Z,8Z,10R,12Z,14R)-10-hydroxy-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-4,8,12-triene-6,11-dione
SYSTEMATIC NAME: (1S,4Z,8Z,10R,12Z,14R)-4,8,12,15,15-pentamethyl-10-oxidanyl-bicyclo[12.1.0]pentadeca-4,8,12-triene-6,11-dione
MOLECULAR FORMULA: C20H28O3
MOLECULAR WEIGHT: 316.43452
SMILES: C/C/1=C/C(=O)C/C(=C\[C@H](C(=O)/C(=C\[C@@H]2[C@@H](C2(C)C)CC1)/C)O)/C
Structure:
CAS RN: 114076-70-9
CAS Name: (1S,4Z,6R,8Z,10R,12Z,14R,15S)-6,10-dihydroxy-15-(hydroxymethyl)-4,8,12,15-tetramethyl-11-bicyclo[12.1.0]pentadeca-4,8,12-trienone
OPENEYE Name: (1S,4Z,6R,8Z,10R,12Z,14R,15S)-6,10-dihydroxy-15-(hydroxymethyl)-4,8,12,15-tetramethyl-bicyclo[12.1.0]pentadeca-4,8,12-trien-11-one
IUPAC Name: (1S,4Z,6R,8Z,10R,12Z,14R,15S)-6,10-dihydroxy-15-(hydroxymethyl)-4,8,12,15-tetramethylbicyclo[12.1.0]pentadeca-4,8,12-trien-11-one
SYSTEMATIC NAME: (1S,4Z,6R,8Z,10R,12Z,14R,15S)-15-(hydroxymethyl)-4,8,12,15-tetramethyl-6,10-bis(oxidanyl)bicyclo[12.1.0]pentadeca-4,8,12-trien-11-one
MOLECULAR FORMULA: C20H30O4
MOLECULAR WEIGHT: 334.4498
SMILES: C/C/1=C/[C@@H](C/C(=C\[C@H](C(=O)/C(=C\[C@@H]2[C@@H]([C@]2(C)CO)CC1)/C)O)/C)O
Structure:
CAS RN: 114076-69-6
CAS Name: (1R,5Z,8Z,10S,12Z,14R)-4,10-dihydroxy-4,8,12,15,15-pentamethyl-11-bicyclo[12.1.0]pentadeca-5,8,12-trienone
OPENEYE Name: (1R,5Z,8Z,10S,12Z,14R)-4,10-dihydroxy-4,8,12,15,15-pentamethyl-bicyclo[12.1.0]pentadeca-5,8,12-trien-11-one
IUPAC Name: (1R,5Z,8Z,10S,12Z,14R)-4,10-dihydroxy-4,8,12,15,15-pentamethylbicyclo[12.1.0]pentadeca-5,8,12-trien-11-one
SYSTEMATIC NAME: (1R,5Z,8Z,10S,12Z,14R)-4,8,12,15,15-pentamethyl-4,10-bis(oxidanyl)bicyclo[12.1.0]pentadeca-5,8,12-trien-11-one
MOLECULAR FORMULA: C20H30O3
MOLECULAR WEIGHT: 318.4504
SMILES: C/C/1=C/[C@@H](C(=O)/C(=C\[C@@H]2[C@H](C2(C)C)CCC(/C=C\C1)(C)O)/C)O
Structure:
CAS RN: 113953-02-9
CAS Name: (E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoic acid [(2R,3R,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-6-ethoxy-5-hydroxy-2-(hydroxymethyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-oxanyl] ester
OPENEYE Name: [(2R,3R,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-6-ethoxy-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (E)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate
IUPAC Name: [(2R,3R,4S,5R,6R)-5-(3,4-dihydroxyphenyl)-6-ethoxy-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3R,4S,5R,6R)-5-[3,4-bis(oxidanyl)phenyl]-6-ethoxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl] (E)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C30H38O15
MOLECULAR WEIGHT: 638.61372
SMILES: CCO[C@H]1[C@]([C@H]([C@@H]([C@H](O1)CO)OC(=O)/C=C/C2=CC(=C(C=C2)OC)O)O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)(C4=CC(=C(C=C4)O)O)O
Structure:
CAS RN: 113949-28-3
CAS Name: (E)-4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-3-buten-2-ol
OPENEYE Name: (E)-4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-but-3-en-2-ol
IUPAC Name: (E)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbut-3-en-2-ol
SYSTEMATIC NAME: (E)-4-(1,3-benzodioxol-5-yl)-2,3-dimethyl-but-3-en-2-ol
MOLECULAR FORMULA: C13H16O3
MOLECULAR WEIGHT: 220.26434
SMILES: C/C(=C\C1=CC2=C(C=C1)OCO2)/C(C)(C)O
Structure:
CAS RN: 113949-27-2
CAS Name: (E)-4-(3,4-dimethoxyphenyl)-2-methyl-3-buten-2-ol
OPENEYE Name: (E)-4-(3,4-dimethoxyphenyl)-2-methyl-but-3-en-2-ol
IUPAC Name: (E)-4-(3,4-dimethoxyphenyl)-2-methylbut-3-en-2-ol
SYSTEMATIC NAME: (E)-4-(3,4-dimethoxyphenyl)-2-methyl-but-3-en-2-ol
MOLECULAR FORMULA: C13H18O3
MOLECULAR WEIGHT: 222.28022
SMILES: CC(C)(/C=C/C1=CC(=C(C=C1)OC)OC)O
Structure:
CAS RN: 113949-26-1
CAS Name: (E)-4-(2,5-dimethoxyphenyl)-2-methyl-3-buten-2-ol
OPENEYE Name: (E)-4-(2,5-dimethoxyphenyl)-2-methyl-but-3-en-2-ol
IUPAC Name: (E)-4-(2,5-dimethoxyphenyl)-2-methylbut-3-en-2-ol
SYSTEMATIC NAME: (E)-4-(2,5-dimethoxyphenyl)-2-methyl-but-3-en-2-ol
MOLECULAR FORMULA: C13H18O3
MOLECULAR WEIGHT: 222.28022
SMILES: CC(C)(/C=C/C1=C(C=CC(=C1)OC)OC)O
Structure:
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