CAS RN: 15352-89-3
CAS Name: N-[[(E)-(2,6-dioxo-5-pyrimidinylidene)methyl]amino]formamide
OPENEYE Name: N-[[(E)-(2,6-dioxopyrimidin-5-ylidene)methyl]amino]formamide
IUPAC Name: N-[[(E)-(2,6-dioxopyrimidin-5-ylidene)methyl]amino]formamide
SYSTEMATIC NAME: N-[[(E)-[2,6-bis(oxidanylidene)pyrimidin-5-ylidene]methyl]amino]methanamide
MOLECULAR FORMULA: C6H6N4O3
MOLECULAR WEIGHT: 182.13684
SMILES: C\1=NC(=O)NC(=O)/C1=C/NNC=O
Structure:
CAS RN: 23245-37-6
CAS Name: 1-phenylpiperazine; (Z)-3-phenyl-2-propenoic acid
OPENEYE Name: 1-phenylpiperazine; (Z)-3-phenylprop-2-enoic acid
IUPAC Name: 1-phenylpiperazine; (Z)-3-phenylprop-2-enoic acid
SYSTEMATIC NAME: 1-phenylpiperazine; (Z)-3-phenylprop-2-enoic acid
MOLECULAR FORMULA: C19H22N2O2
MOLECULAR WEIGHT: 310.39018
SMILES: C1CN(CCN1)C2=CC=CC=C2.C1=CC=C(C=C1)/C=C\C(=O)O
Structure:
CAS RN: 21614-98-2
CAS Name: (3E,5E)-6-phenyl-1-hexa-3,5-dienol
OPENEYE Name: (3E,5E)-6-phenylhexa-3,5-dien-1-ol
IUPAC Name: (3E,5E)-6-phenylhexa-3,5-dien-1-ol
SYSTEMATIC NAME: (3E,5E)-6-phenylhexa-3,5-dien-1-ol
MOLECULAR FORMULA: C12H14O
MOLECULAR WEIGHT: 174.23896
SMILES: C1=CC=C(C=C1)/C=C/C=C/CCO
Structure:
CAS RN: 1193-99-3
CAS Name: (2E)-2-(nitrosomethylidene)-1H-pyrazine
OPENEYE Name: (2E)-2-(nitrosomethylene)-1H-pyrazine
IUPAC Name: (2E)-2-(nitrosomethylidene)-1H-pyrazine
SYSTEMATIC NAME: (2E)-2-(nitrosomethylidene)-1H-pyrazine
MOLECULAR FORMULA: C5H5N3O
MOLECULAR WEIGHT: 123.1127
SMILES: C1=CN=C/C(=C\N=O)/N1
Structure:
CAS RN: 20055-57-6
CAS Name: 2,3-dihydroxy-2-methylpropanoic acid [(9E)-6-(acetyloxymethyl)-10-methyl-3-methylene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] ester
OPENEYE Name: [(9E)-6-(acetoxymethyl)-10-methyl-3-methylene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2,3-dihydroxy-2-methyl-propanoate
IUPAC Name: [(9E)-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2,3-dihydroxy-2-methylpropanoate
SYSTEMATIC NAME: [(9E)-6-(acetyloxymethyl)-10-methyl-3-methylidene-2-oxidanylidene-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methyl-2,3-bis(oxidanyl)propanoate
MOLECULAR FORMULA: C21H28O8
MOLECULAR WEIGHT: 408.44222
SMILES: C/C/1=C\CCC(=CC(C2C(C1)OC(=O)C2=C)OC(=O)C(C)(CO)O)COC(=O)C
Structure:
CAS RN: 26830-03-5
CAS Name: (E)-3-[5-methyl-2-(methylthio)phenyl]-2-propenoic acid
OPENEYE Name: (E)-3-(5-methyl-2-methylsulfanyl-phenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(5-methyl-2-methylsulfanylphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(5-methyl-2-methylsulfanyl-phenyl)prop-2-enoic acid
MOLECULAR FORMULA: C11H12O2S
MOLECULAR WEIGHT: 208.27678
SMILES: CC1=CC(=C(C=C1)SC)/C=C/C(=O)O
Structure:
CAS RN: 13117-01-6
CAS Name: (3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine
OPENEYE Name: (3Z,6Z)-1,5-bis(p-tolylsulfonyl)-2,8-dihydro-1,5-diazocine
IUPAC Name: (3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine
SYSTEMATIC NAME: (3Z,6Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,8-dihydro-1,5-diazocine
MOLECULAR FORMULA: C20H22N2O4S2
MOLECULAR WEIGHT: 418.52968
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2C/C=C\N(/C=C\C2)S(=O)(=O)C3=CC=C(C=C3)C
Structure:
CAS RN: 13117-00-5
CAS Name: (3Z,7Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,6-dihydro-1,5-diazocine
OPENEYE Name: (3Z,7Z)-1,5-bis(p-tolylsulfonyl)-2,6-dihydro-1,5-diazocine
IUPAC Name: (3Z,7Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,6-dihydro-1,5-diazocine
SYSTEMATIC NAME: (3Z,7Z)-1,5-bis-(4-methylphenyl)sulfonyl-2,6-dihydro-1,5-diazocine
MOLECULAR FORMULA: C20H22N2O4S2
MOLECULAR WEIGHT: 418.52968
SMILES: CC1=CC=C(C=C1)S(=O)(=O)N2/C=C\CN(/C=C\C2)S(=O)(=O)C3=CC=C(C=C3)C
Structure:
CAS RN: 6619-59-6
CAS Name: 1-hydroxy-3-pentyl-8,10-dihydro-7H-benzo[c][1]benzopyran-6,9-dione
OPENEYE Name: 1-hydroxy-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-6,9-dione
IUPAC Name: 1-hydroxy-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-6,9-dione
SYSTEMATIC NAME: 1-oxidanyl-3-pentyl-8,10-dihydro-7H-benzo[c]chromene-6,9-dione
MOLECULAR FORMULA: C18H20O4
MOLECULAR WEIGHT: 300.349
SMILES: CCCCCC1=CC2=C(C3=C(CCC(=O)C3)C(=O)O2)C(=C1)O
Structure:
CAS RN: 14859-93-9
CAS Name: (5E)-5-[(hydroxyamino)methylidene]pyrimidine-2,4-dione
OPENEYE Name: (5E)-5-[(hydroxyamino)methylene]pyrimidine-2,4-dione
IUPAC Name: (5E)-5-[(hydroxyamino)methylidene]pyrimidine-2,4-dione
SYSTEMATIC NAME: (5E)-5-[(oxidanylamino)methylidene]pyrimidine-2,4-dione
MOLECULAR FORMULA: C5H5N3O3
MOLECULAR WEIGHT: 155.1115
SMILES: C\1=NC(=O)NC(=O)/C1=C/NO
Structure:
CAS RN: 23249-21-0
CAS Name: (Z)-2-butenedioic acid; N,N-dimethyl-3-(3-methyl-1-phenyl-2H-indol-3-yl)-1-propanamine
OPENEYE Name: N,N-dimethyl-3-(3-methyl-1-phenyl-indolin-3-yl)propan-1-amine; maleic acid
IUPAC Name: (Z)-but-2-enedioic acid; N,N-dimethyl-3-(3-methyl-1-phenyl-2H-indol-3-yl)propan-1-amine
SYSTEMATIC NAME: (Z)-but-2-enedioic acid; N,N-dimethyl-3-(3-methyl-1-phenyl-2H-indol-3-yl)propan-1-amine
MOLECULAR FORMULA: C24H30N2O4
MOLECULAR WEIGHT: 410.506
SMILES: CC1(CN(C2=CC=CC=C21)C3=CC=CC=C3)CCCN(C)C.C(=C\C(=O)O)\C(=O)O
Structure:
CAS RN: 19985-68-3
CAS Name: 3-[(Z)-2-nitroethenyl]-1-benzothiophene
OPENEYE Name: 3-[(Z)-2-nitrovinyl]benzothiophene
IUPAC Name: 3-[(Z)-2-nitroethenyl]-1-benzothiophene
SYSTEMATIC NAME: 3-[(Z)-2-nitroethenyl]-1-benzothiophene
MOLECULAR FORMULA: C10H7NO2S
MOLECULAR WEIGHT: 205.23308
SMILES: C1=CC=C2C(=C1)C(=CS2)/C=C\[N+](=O)[O-]
Structure:
CAS RN: 78829-07-9
CAS Name: (E)-2-mercapto-3-(3,4,5-trimethoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-2-sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-2-sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-2-sulfanyl-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C12H14O5S
MOLECULAR WEIGHT: 270.30156
SMILES: COC1=CC(=CC(=C1OC)OC)/C=C(\C(=O)O)/S
Structure:
CAS RN: 91569-09-4
CAS Name: (1E)-1-ethylidene-3-oxo-2-indenecarboxamide
OPENEYE Name: (1E)-1-ethylidene-3-oxo-indane-2-carboxamide
IUPAC Name: (1E)-1-ethylidene-3-oxoindene-2-carboxamide
SYSTEMATIC NAME: (1E)-1-ethylidene-3-oxidanylidene-indene-2-carboxamide
MOLECULAR FORMULA: C12H11NO2
MOLECULAR WEIGHT: 201.22124
SMILES: C/C=C/1\C(C(=O)C2=CC=CC=C21)C(=O)N
Structure:
CAS RN: 21461-31-4
CAS Name: acetic acid [(E)-5-(4-methoxyphenyl)-4-nitropent-4-enyl] ester
OPENEYE Name: [(E)-5-(4-methoxyphenyl)-4-nitro-pent-4-enyl] acetate
IUPAC Name: [(E)-5-(4-methoxyphenyl)-4-nitropent-4-enyl] acetate
SYSTEMATIC NAME: [(E)-5-(4-methoxyphenyl)-4-nitro-pent-4-enyl] ethanoate
MOLECULAR FORMULA: C14H17NO5
MOLECULAR WEIGHT: 279.28848
SMILES: CC(=O)OCCC/C(=C\C1=CC=C(C=C1)OC)/[N+](=O)[O-]
Structure:
CAS RN: 19893-75-5
CAS Name: acetic acid [(Z)-3-nitro-4-(9-phenanthrenyl)but-3-enyl] ester
OPENEYE Name: [(Z)-3-nitro-4-(9-phenanthryl)but-3-enyl] acetate
IUPAC Name: [(Z)-3-nitro-4-phenanthren-9-ylbut-3-enyl] acetate
SYSTEMATIC NAME: [(Z)-3-nitro-4-phenanthren-9-yl-but-3-enyl] ethanoate
MOLECULAR FORMULA: C20H17NO4
MOLECULAR WEIGHT: 335.35328
SMILES: CC(=O)OCC/C(=C/C1=CC2=CC=CC=C2C3=CC=CC=C31)/[N+](=O)[O-]
Structure:
CAS RN: 56674-63-6
CAS Name: (E)-3-methoxy-2-methyl-2-propenoic acid
OPENEYE Name: (E)-3-methoxy-2-methyl-prop-2-enoic acid
IUPAC Name: (E)-3-methoxy-2-methylprop-2-enoic acid
SYSTEMATIC NAME: (E)-3-methoxy-2-methyl-prop-2-enoic acid
MOLECULAR FORMULA: C5H8O3
MOLECULAR WEIGHT: 116.11522
SMILES: C/C(=C\OC)/C(=O)O
Structure:
CAS RN: 1199-42-4
CAS Name: (E)-3-(2,5-dibromo-3-thiophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2,5-dibromo-3-thienyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2,5-dibromothiophen-3-yl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[2,5-bis(bromanyl)thiophen-3-yl]prop-2-enoic acid
MOLECULAR FORMULA: C7H4Br2O2S
MOLECULAR WEIGHT: 311.97846
SMILES: C1=C(SC(=C1/C=C/C(=O)O)Br)Br
Structure:
CAS RN: 42056-18-8
CAS Name: (E)-2-mercapto-3-(2-methoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2-methoxyphenyl)-2-sulfanyl-prop-2-enoic acid
IUPAC Name: (E)-3-(2-methoxyphenyl)-2-sulfanylprop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(2-methoxyphenyl)-2-sulfanyl-prop-2-enoic acid
MOLECULAR FORMULA: C10H10O3S
MOLECULAR WEIGHT: 210.2496
SMILES: COC1=CC=CC=C1/C=C(\C(=O)O)/S
Structure:
CAS RN: 63979-75-9
CAS Name: [(E)-2-dioctoxyphosphorylethenyl]benzene
OPENEYE Name: [(E)-2-dioctoxyphosphorylvinyl]benzene
IUPAC Name: [(E)-2-dioctoxyphosphorylethenyl]benzene
SYSTEMATIC NAME: [(E)-2-dioctoxyphosphorylethenyl]benzene
MOLECULAR FORMULA: C24H41O3P
MOLECULAR WEIGHT: 408.554301
SMILES: CCCCCCCCOP(=O)(/C=C/C1=CC=CC=C1)OCCCCCCCC
Structure:
CAS RN: 80017-20-5
CAS Name: (2Z)-3,7-dimethylocta-2,6-dienamide
OPENEYE Name: (2Z)-3,7-dimethylocta-2,6-dienamide
IUPAC Name: (2Z)-3,7-dimethylocta-2,6-dienamide
SYSTEMATIC NAME: (2Z)-3,7-dimethylocta-2,6-dienamide
MOLECULAR FORMULA: C10H17NO
MOLECULAR WEIGHT: 167.24808
SMILES: CC(=CCC/C(=C\C(=O)N)/C)C
Structure:
CAS RN: 21323-30-8
CAS Name: 2-ethoxy-4-[[[4-[(3-ethoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-1-piperazinyl]amino]methylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 2-ethoxy-4-[[[4-[(3-ethoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]piperazin-1-yl]amino]methylene]cyclohexa-2,5-dien-1-one
IUPAC Name: 2-ethoxy-4-[[[4-[(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]piperazin-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 2-ethoxy-4-[[[4-[(3-ethoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]piperazin-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C22H28N4O4
MOLECULAR WEIGHT: 412.48212
SMILES: CCOC1=CC(=CNN2CCN(CC2)NC=C3C=CC(=O)C(=C3)OCC)C=CC1=O
Structure:
CAS RN: 21323-28-4
CAS Name: 3-hydroxy-4-[[[4-[(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-1-piperazinyl]amino]methylidene]-1-cyclohexa-2,5-dienone
OPENEYE Name: 3-hydroxy-4-[[[4-[(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]piperazin-1-yl]amino]methylene]cyclohexa-2,5-dien-1-one
IUPAC Name: 3-hydroxy-4-[[[4-[(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]piperazin-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one
SYSTEMATIC NAME: 3-oxidanyl-4-[[[4-[(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]piperazin-1-yl]amino]methylidene]cyclohexa-2,5-dien-1-one
MOLECULAR FORMULA: C18H20N4O4
MOLECULAR WEIGHT: 356.3758
SMILES: C1CN(CCN1NC=C2C=CC(=O)C=C2O)NC=C3C=CC(=O)C=C3O
Structure:
CAS RN: 19730-32-6
CAS Name: 4-nitro-6-[[[4-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1-piperazinyl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: 4-nitro-6-[[[4-[(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]piperazin-1-yl]amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: 4-nitro-6-[[[4-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]piperazin-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 4-nitro-6-[[[4-[(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]piperazin-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C18H18N6O6
MOLECULAR WEIGHT: 414.37212
SMILES: C1CN(CCN1NC=C2C=C(C=CC2=O)[N+](=O)[O-])NC=C3C=C(C=CC3=O)[N+](=O)[O-]
Structure:
CAS RN: 19730-36-0
CAS Name: 2,4-dibromo-6-[[[4-[(3,5-dibromo-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1-piperazinyl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: 2,4-dibromo-6-[[[4-[(3,5-dibromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]piperazin-1-yl]amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: 2,4-dibromo-6-[[[4-[(3,5-dibromo-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]piperazin-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 6-[[[4-[[3,5-bis(bromanyl)-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene]methylamino]piperazin-1-yl]amino]methylidene]-2,4-bis(bromanyl)cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C18H16Br4N4O2
MOLECULAR WEIGHT: 639.96124
SMILES: C1CN(CCN1NC=C2C=C(C=C(C2=O)Br)Br)NC=C3C=C(C=C(C3=O)Br)Br
Structure:
CAS RN: 19774-89-1
CAS Name: 4-chloro-6-[[[4-[(3-chloro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-1-piperazinyl]amino]methylidene]-1-cyclohexa-2,4-dienone
OPENEYE Name: 4-chloro-6-[[[4-[(3-chloro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]piperazin-1-yl]amino]methylene]cyclohexa-2,4-dien-1-one
IUPAC Name: 4-chloro-6-[[[4-[(3-chloro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]piperazin-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
SYSTEMATIC NAME: 4-chloranyl-6-[[[4-[(3-chloranyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]piperazin-1-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
MOLECULAR FORMULA: C18H18Cl2N4O2
MOLECULAR WEIGHT: 393.26712
SMILES: C1CN(CCN1NC=C2C=C(C=CC2=O)Cl)NC=C3C=C(C=CC3=O)Cl
Structure:
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