CAS RN: 3230-63-5
CAS Name: 1-[(4-bromoanilino)methylidene]-2-naphthalenone
OPENEYE Name: 1-[(4-bromoanilino)methylene]naphthalen-2-one
IUPAC Name: 1-[(4-bromoanilino)methylidene]naphthalen-2-one
SYSTEMATIC NAME: 1-[[(4-bromophenyl)amino]methylidene]naphthalen-2-one
MOLECULAR FORMULA: C17H12BrNO
MOLECULAR WEIGHT: 326.18728
SMILES: C1=CC=C2C(=C1)C=CC(=O)C2=CNC3=CC=C(C=C3)Br
Structure:
CAS RN: 70318-53-5
CAS Name: 2-methoxy-4-[[3-(trifluoromethyl)anilino]methylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 2-methoxy-4-[[3-(trifluoromethyl)anilino]methylene]cyclohexa-2,5-dien-1-one
IUPAC Name: 2-methoxy-4-[[3-(trifluoromethyl)anilino]methylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2-methoxy-4-[[[3-(trifluoromethyl)phenyl]amino]methylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C15H12F3NO2
MOLECULAR WEIGHT: 295.25649
SMILES: COC1=CC(=CNC2=CC=CC(=C2)C(F)(F)F)C=CC1=O
Structure:
CAS RN: 28120-50-5
CAS Name: 2,4-dibromo-6-[[[(E)-(3,5-dibromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]hydrazo]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: 2,4-dibromo-6-[[2-[(E)-(3,5-dibromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: 2,4-dibromo-6-[[2-[(E)-(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 6-[[2-[(E)-[3,5-bis(bromanyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methyl]hydrazinyl]methylidene]-2,4-bis(bromanyl)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C14H8Br4N2O2
MOLECULAR WEIGHT: 555.84152
SMILES: C1=C(C=C(C(=O)C1=CNN/C=C/2\C=C(C=C(C2=O)Br)Br)Br)Br
Structure:
CAS RN: 31556-09-9
CAS Name: (5E)-4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid methyl ester
OPENEYE Name: methyl (5E)-4-oxo-5-(3-oxoindolin-2-ylidene)pentanoate
IUPAC Name: methyl (5E)-4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoate
SYSTEMATIC NAME: methyl (5E)-4-oxidanylidene-5-(3-oxidanylidene-1H-indol-2-ylidene)pentanoate
MOLECULAR FORMULA: C14H13NO4
MOLECULAR WEIGHT: 259.25732
SMILES: COC(=O)CCC(=O)/C=C/1\C(=O)C2=CC=CC=C2N1
Structure:
CAS RN: 31556-10-2
CAS Name: (5E)-4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid
OPENEYE Name: (5E)-4-oxo-5-(3-oxoindolin-2-ylidene)pentanoic acid
IUPAC Name: (5E)-4-oxo-5-(3-oxo-1H-indol-2-ylidene)pentanoic acid
SYSTEMATIC NAME: (5E)-4-oxidanylidene-5-(3-oxidanylidene-1H-indol-2-ylidene)pentanoic acid
MOLECULAR FORMULA: C13H11NO4
MOLECULAR WEIGHT: 245.23074
SMILES: C1=CC=C2C(=C1)C(=O)/C(=C\C(=O)CCC(=O)O)/N2
Structure:
CAS RN: 959-68-2
CAS Name: 6-[(3-nitroanilino)methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: 6-[(3-nitroanilino)methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: 6-[(3-nitroanilino)methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 6-[[(3-nitrophenyl)amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C13H10N2O3
MOLECULAR WEIGHT: 242.2301
SMILES: C1=CC(=CNC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C=C1
Structure:
CAS RN: 32835-40-8
CAS Name: 6-[(2,4-dichloroanilino)methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: 6-[(2,4-dichloroanilino)methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: 6-[(2,4-dichloroanilino)methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 6-[[(2,4-dichlorophenyl)amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C13H9Cl2NO
MOLECULAR WEIGHT: 266.12266
SMILES: C1=CC(=CNC2=C(C=C(C=C2)Cl)Cl)C(=O)C=C1
Structure:
CAS RN: 28177-14-2
CAS Name: (5E)-5-[(2-chloroethylamino)hydrazinylidene]-4-imidazolecarboxamide
OPENEYE Name: (5E)-5-[(2-chloroethylamino)hydrazono]imidazole-4-carboxamide
IUPAC Name: (5E)-5-[(2-chloroethylamino)hydrazinylidene]imidazole-4-carboxamide
SYSTEMATIC NAME: (5E)-5-[(2-chloroethylamino)hydrazinylidene]imidazole-4-carboxamide
MOLECULAR FORMULA: C6H9ClN6O
MOLECULAR WEIGHT: 216.62826
SMILES: C1=N/C(=N/NNCCCl)/C(=N1)C(=O)N
Structure:
CAS RN: 49738-86-5
CAS Name: (2Z)-2-(aminomethylidene)-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanone
OPENEYE Name: (3Z)-3-(aminomethylene)-1,7,7-trimethyl-norbornan-2-one
IUPAC Name: (2Z)-2-(aminomethylidene)-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one
SYSTEMATIC NAME: (2Z)-2-(azanylmethylidene)-4,7,7-trimethyl-bicyclo[2.2.1]heptan-3-one
MOLECULAR FORMULA: C11H17NO
MOLECULAR WEIGHT: 179.25878
SMILES: CC1(C\2CCC1(C(=O)/C2=C\N)C)C
Structure:
CAS RN: 30035-62-2
CAS Name: N,N-dimethyl-4-[(E)-1-phenylprop-1-enyl]aniline
OPENEYE Name: N,N-dimethyl-4-[(E)-1-phenylprop-1-enyl]aniline
IUPAC Name: N,N-dimethyl-4-[(E)-1-phenylprop-1-enyl]aniline
SYSTEMATIC NAME: N,N-dimethyl-4-[(E)-1-phenylprop-1-enyl]aniline
MOLECULAR FORMULA: C17H19N
MOLECULAR WEIGHT: 237.33946
SMILES: C/C=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)N(C)C
Structure:
CAS RN: 5556-29-6
CAS Name: (2E)-2-[ethoxy(hydroxy)methylidene]-4H-thieno[3,2-b]pyrrol-3-one
OPENEYE Name: (2E)-2-[ethoxy(hydroxy)methylene]-4H-thieno[3,2-b]pyrrol-3-one
IUPAC Name: (2E)-2-[ethoxy(hydroxy)methylidene]-4H-thieno[3,2-b]pyrrol-3-one
SYSTEMATIC NAME: (2E)-2-[ethoxy(oxidanyl)methylidene]-4H-thieno[3,2-b]pyrrol-3-one
MOLECULAR FORMULA: C9H9NO3S
MOLECULAR WEIGHT: 211.23766
SMILES: CCO/C(=C/1\C(=O)C2=C(S1)C=CN2)/O
Structure:
CAS RN: 1138-11-0
CAS Name: (2E)-2-[(butylthio)methylidene]-4H-thieno[3,2-b]pyrrol-3-one
OPENEYE Name: (2E)-2-(butylsulfanylmethylene)-4H-thieno[3,2-b]pyrrol-3-one
IUPAC Name: (2E)-2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one
SYSTEMATIC NAME: (2E)-2-(butylsulfanylmethylidene)-4H-thieno[3,2-b]pyrrol-3-one
MOLECULAR FORMULA: C11H13NOS2
MOLECULAR WEIGHT: 239.35702
SMILES: CCCCS/C=C/1\C(=O)C2=C(S1)C=CN2
Structure:
CAS RN: 3172-38-1
CAS Name: 1-[(3-chloroanilino)methylidene]-2-naphthalenone
OPENEYE Name: 1-[(3-chloroanilino)methylene]naphthalen-2-one
IUPAC Name: 1-[(3-chloroanilino)methylidene]naphthalen-2-one
SYSTEMATIC NAME: 1-[[(3-chlorophenyl)amino]methylidene]naphthalen-2-one
MOLECULAR FORMULA: C17H12ClNO
MOLECULAR WEIGHT: 281.73628
SMILES: C1=CC=C2C(=C1)C=CC(=O)C2=CNC3=CC(=CC=C3)Cl
Structure:
CAS RN: 35188-02-4
CAS Name: 7-bromo-1H-pyrido[3,2-g]pteridine-2,4-dione
OPENEYE Name: 7-bromo-1H-pyrido[3,2-g]pteridine-2,4-dione
IUPAC Name: 7-bromo-1H-pyrido[3,2-g]pteridine-2,4-dione
SYSTEMATIC NAME: 7-bromanyl-1H-pyrido[3,2-g]pteridine-2,4-dione
MOLECULAR FORMULA: C9H4BrN5O2
MOLECULAR WEIGHT: 294.06436
SMILES: C1=C2C(=NC=C1Br)N=C3C(=N2)C(=O)NC(=O)N3
Structure:
CAS RN: 26682-94-0
CAS Name: (E)-2-acetyl-3-amino-2-butenoic acid ethyl ester
OPENEYE Name: ethyl (E)-2-acetyl-3-amino-but-2-enoate
IUPAC Name: ethyl (E)-2-acetyl-3-aminobut-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-azanyl-2-ethanoyl-but-2-enoate
MOLECULAR FORMULA: C8H13NO3
MOLECULAR WEIGHT: 171.19372
SMILES: CCOC(=O)/C(=C(\C)/N)/C(=O)C
Structure:
CAS RN: 40970-28-3
CAS Name: (3E)-3-[hydroxy(methoxy)methylidene]-1-methylpyrrolidine-2,4-dione
OPENEYE Name: (3E)-3-[hydroxy(methoxy)methylene]-1-methyl-pyrrolidine-2,4-dione
IUPAC Name: (3E)-3-[hydroxy(methoxy)methylidene]-1-methylpyrrolidine-2,4-dione
SYSTEMATIC NAME: (3E)-3-[methoxy(oxidanyl)methylidene]-1-methyl-pyrrolidine-2,4-dione
MOLECULAR FORMULA: C7H9NO4
MOLECULAR WEIGHT: 171.15066
SMILES: CN1CC(=O)/C(=C(/O)\OC)/C1=O
Structure:
CAS RN: 88775-45-5
CAS Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
IUPAC Name: (E)-1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one
MOLECULAR FORMULA: C18H16O5
MOLECULAR WEIGHT: 312.31664
SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)OCO3)OC
Structure:
CAS RN: 91983-03-8
CAS Name: 2,5-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3,6-dithione; pyridine
OPENEYE Name: 2,5-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3,6-dithione; pyridine
IUPAC Name: 2,5-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3,6-dithione; pyridine
SYSTEMATIC NAME: 2,5-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-3,6-dithione; pyridine
MOLECULAR FORMULA: C8H7N5S3
MOLECULAR WEIGHT: 269.36968
SMILES: C1=CC=NC=C1.C1(=S)NN=C2N1NC(=S)S2
Structure:
CAS RN: 5319-80-2
CAS Name: 4-amino-1,2,4-triazolidine-3,5-dithione; pyridine
OPENEYE Name: 4-amino-1,2,4-triazolidine-3,5-dithione; pyridine
IUPAC Name: 4-amino-1,2,4-triazolidine-3,5-dithione; pyridine
SYSTEMATIC NAME: 4-azanyl-1,2,4-triazolidine-3,5-dithione; pyridine
MOLECULAR FORMULA: C7H9N5S2
MOLECULAR WEIGHT: 227.30986
SMILES: C1=CC=NC=C1.C1(=S)NNC(=S)N1N
Structure:
CAS RN: 24185-51-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H31N3O4
MOLECULAR WEIGHT: 437.53134
SMILES: C1CCNC(=O)/C=C/C23CCC(=O)CC2OC4=C3C=C(C=C4)/C=C/C(=O)NCCCNC1
Structure:
CAS RN: 79298-94-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H31N3O4
MOLECULAR WEIGHT: 437.53134
SMILES: C1CCNC(=O)/C=C/C23CCC(=O)CC2OC4=C3C=C(C=C4)/C=C/C(=O)NCCCNC1
Structure:
CAS RN: 35413-63-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C40H49NO14
MOLECULAR WEIGHT: 767.81536
SMILES: CC1/C=C\C=C(\C(=O)NC2=C(C(=C3C(=C(C(=C4C3=C(/C(=C/C(C(C(C(C(C(C(C1=O)C)O)C(=O)OC)O)C)O)(C)O)/C)OCO4)C)O)C2=O)OC(=O)C)C)/C
Structure:
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