CAS RN: 3626-69-5
CAS Name: (E)-1-(1-piperidinyl)-2-buten-1-one
OPENEYE Name: (E)-1-(1-piperidyl)but-2-en-1-one
IUPAC Name: (E)-1-piperidin-1-ylbut-2-en-1-one
SYSTEMATIC NAME: (E)-1-piperidin-1-ylbut-2-en-1-one
MOLECULAR FORMULA: C9H15NO
MOLECULAR WEIGHT: 153.2215
SMILES: C/C=C/C(=O)N1CCCCC1
Structure:
CAS RN: 50838-22-7
CAS Name: (E)-1-(1-piperidinyl)-2-buten-1-one
OPENEYE Name: (E)-1-(1-piperidyl)but-2-en-1-one
IUPAC Name: (E)-1-piperidin-1-ylbut-2-en-1-one
SYSTEMATIC NAME: (E)-1-piperidin-1-ylbut-2-en-1-one
MOLECULAR FORMULA: C9H15NO
MOLECULAR WEIGHT: 153.2215
SMILES: C/C=C/C(=O)N1CCCCC1
Structure:
CAS RN: 31218-83-4
CAS Name: (E)-3-[ethylamino(methoxy)phosphinothioyl]oxy-2-butenoic acid propan-2-yl ester
OPENEYE Name: isopropyl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate
IUPAC Name: propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate
SYSTEMATIC NAME: propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate
MOLECULAR FORMULA: C10H20NO4PS
MOLECULAR WEIGHT: 281.308861
SMILES: CCNP(=S)(OC)O/C(=C/C(=O)OC(C)C)/C
Structure:
CAS RN: 126092-77-1
CAS Name: 1-[(E)-2-bromoethenyl]-4-chlorobenzene
OPENEYE Name: 1-[(E)-2-bromovinyl]-4-chloro-benzene
IUPAC Name: 1-[(E)-2-bromoethenyl]-4-chlorobenzene
SYSTEMATIC NAME: 1-[(E)-2-bromanylethenyl]-4-chloranyl-benzene
MOLECULAR FORMULA: C8H6BrCl
MOLECULAR WEIGHT: 217.49024
SMILES: C1=CC(=CC=C1/C=C/Br)Cl
Structure:
CAS RN: 135835-43-7
CAS Name: (E)-3-(3-thiophenyl)-2-propenoic acid methyl ester
OPENEYE Name: methyl (E)-3-(3-thienyl)prop-2-enoate
IUPAC Name: methyl (E)-3-thiophen-3-ylprop-2-enoate
SYSTEMATIC NAME: methyl (E)-3-thiophen-3-ylprop-2-enoate
MOLECULAR FORMULA: C8H8O2S
MOLECULAR WEIGHT: 168.21292
SMILES: COC(=O)/C=C/C1=CSC=C1
Structure:
CAS RN: 4263-87-0
CAS Name: 4-[3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydrobenzofuran-2-yl]-2-methoxyphenol
OPENEYE Name: 4-[3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydrobenzofuran-2-yl]-2-methoxy-phenol
IUPAC Name: 4-[3-(hydroxymethyl)-5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
SYSTEMATIC NAME: 4-[3-(hydroxymethyl)-7-methoxy-5-[(E)-3-oxidanylprop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]-2-methoxy-phenol
MOLECULAR FORMULA: C20H22O6
MOLECULAR WEIGHT: 358.38508
SMILES: COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)/C=C/CO
Structure:
CAS RN: 13323-67-6
CAS Name: (E)-1-(2,4-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-propen-1-one
OPENEYE Name: (E)-1-(2,4-dihydroxyphenyl)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-en-1-one
IUPAC Name: (E)-1-(2,4-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one
SYSTEMATIC NAME: (E)-1-[2,4-bis(oxidanyl)phenyl]-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-en-1-one
MOLECULAR FORMULA: C16H14O5
MOLECULAR WEIGHT: 286.27936
SMILES: COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)O)O)O
Structure:
CAS RN: 34158-71-9
CAS Name: (1E)-3-chlorobenzaldehyde oxime
OPENEYE Name: (1E)-3-chlorobenzaldehyde oxime
IUPAC Name: (NE)-N-[(3-chlorophenyl)methylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[(3-chlorophenyl)methylidene]hydroxylamine
MOLECULAR FORMULA: C7H6ClNO
MOLECULAR WEIGHT: 155.58164
SMILES: C1=CC(=CC(=C1)Cl)/C=N/O
Structure:
CAS RN: 65405-76-7
CAS Name: 2-aminobenzoic acid [(Z)-hex-3-enyl] ester
OPENEYE Name: [(Z)-hex-3-enyl] 2-aminobenzoate
IUPAC Name: [(Z)-hex-3-enyl] 2-aminobenzoate
SYSTEMATIC NAME: [(Z)-hex-3-enyl] 2-azanylbenzoate
MOLECULAR FORMULA: C13H17NO2
MOLECULAR WEIGHT: 219.27958
SMILES: CC/C=C\CCOC(=O)C1=CC=CC=C1N
Structure:
CAS RN: 1594-58-7
CAS Name: N'-hydroxy-3-pyridinecarboximidamide
OPENEYE Name: N'-hydroxypyridine-3-carboxamidine
IUPAC Name: N'-hydroxypyridine-3-carboximidamide
SYSTEMATIC NAME: N'-oxidanylpyridine-3-carboximidamide
MOLECULAR FORMULA: C6H7N3O
MOLECULAR WEIGHT: 137.13928
SMILES: C1=CC(=CN=C1)/C(=N/O)/N
Structure:
CAS RN: 6638-49-9
CAS Name: 1,3-bis[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]urea
OPENEYE Name: 1,3-bis[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]urea
IUPAC Name: 1,3-bis[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]urea
SYSTEMATIC NAME: 1,3-bis[[(E)-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)methyl]amino]urea
MOLECULAR FORMULA: C15H14N4O3
MOLECULAR WEIGHT: 298.29666
SMILES: C1=C/C(=C\NNC(=O)NN/C=C\2/C(=O)C=CC=C2)/C(=O)C=C1
Structure:
CAS RN: 1983-81-9
CAS Name: 2,7-dihydroxy-1-benzopyran-4-one
OPENEYE Name: 2,7-dihydroxychromen-4-one
IUPAC Name: 2,7-dihydroxychromen-4-one
SYSTEMATIC NAME: 2,7-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C9H6O4
MOLECULAR WEIGHT: 178.14154
SMILES: C1=CC2=C(C=C1O)OC(=CC2=O)O
Structure:
CAS RN: 102082-89-3
CAS Name: (E)-3-(2,6-difluorophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(2,6-difluorophenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(2,6-difluorophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-[2,6-bis(fluoranyl)phenyl]prop-2-enoic acid
MOLECULAR FORMULA: C9H6F2O2
MOLECULAR WEIGHT: 184.139546
SMILES: C1=CC(=C(C(=C1)F)/C=C/C(=O)O)F
Structure:
CAS RN: 21713-52-0
CAS Name: 1,2-dichloro-4-[(E)-2-nitroethenyl]benzene
OPENEYE Name: 1,2-dichloro-4-[(E)-2-nitrovinyl]benzene
IUPAC Name: 1,2-dichloro-4-[(E)-2-nitroethenyl]benzene
SYSTEMATIC NAME: 1,2-bis(chloranyl)-4-[(E)-2-nitroethenyl]benzene
MOLECULAR FORMULA: C8H5Cl2NO2
MOLECULAR WEIGHT: 218.0368
SMILES: C1=CC(=C(C=C1/C=C/[N+](=O)[O-])Cl)Cl
Structure:
CAS RN: 18984-16-2
CAS Name: 1,2-dichloro-4-[(E)-2-nitroethenyl]benzene
OPENEYE Name: 1,2-dichloro-4-[(E)-2-nitrovinyl]benzene
IUPAC Name: 1,2-dichloro-4-[(E)-2-nitroethenyl]benzene
SYSTEMATIC NAME: 1,2-bis(chloranyl)-4-[(E)-2-nitroethenyl]benzene
MOLECULAR FORMULA: C8H5Cl2NO2
MOLECULAR WEIGHT: 218.0368
SMILES: C1=CC(=C(C=C1/C=C/[N+](=O)[O-])Cl)Cl
Structure:
CAS RN: 1513-63-9
CAS Name: 7H-purine-6-sulfonyl fluoride
OPENEYE Name: 7H-purine-6-sulfonyl fluoride
IUPAC Name: 7H-purine-6-sulfonyl fluoride
SYSTEMATIC NAME: 7H-purine-6-sulfonyl fluoride
MOLECULAR FORMULA: C5H3FN4O2S
MOLECULAR WEIGHT: 202.166323
SMILES: C1=NC2=C(N1)C(=NC=N2)S(=O)(=O)F
Structure:
CAS RN: 50444-81-0
CAS Name: 4-[(2Z)-2-[4-[2-[(2,2,2-trifluoro-1-oxoethyl)amino]ethyl]-2-imidazolylidene]hydrazinyl]benzoic acid methyl ester
OPENEYE Name: methyl 4-[(2Z)-2-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]imidazol-2-ylidene]hydrazino]benzoate
IUPAC Name: methyl 4-[(2Z)-2-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]imidazol-2-ylidene]hydrazinyl]benzoate
SYSTEMATIC NAME: methyl 4-[(2Z)-2-[4-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethyl]imidazol-2-ylidene]hydrazinyl]benzoate
MOLECULAR FORMULA: C15H14F3N5O3
MOLECULAR WEIGHT: 369.29857
SMILES: COC(=O)C1=CC=C(C=C1)N/N=C\2/N=CC(=N2)CCNC(=O)C(F)(F)F
Structure:
CAS RN: 39007-94-8
CAS Name: 3-methyl-2-[(E)-3-methyl-4-(4-methyl-2-furanyl)but-2-enyl]furan
OPENEYE Name: 3-methyl-2-[(E)-3-methyl-4-(4-methyl-2-furyl)but-2-enyl]furan
IUPAC Name: 3-methyl-2-[(E)-3-methyl-4-(4-methylfuran-2-yl)but-2-enyl]furan
SYSTEMATIC NAME: 3-methyl-2-[(E)-3-methyl-4-(4-methylfuran-2-yl)but-2-enyl]furan
MOLECULAR FORMULA: C15H18O2
MOLECULAR WEIGHT: 230.30222
SMILES: CC1=C(OC=C1)C/C=C(\C)/CC2=CC(=CO2)C
Structure:
CAS RN: 79-89-0
CAS Name: (E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohexenyl)-3-buten-2-one
OPENEYE Name: (E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
IUPAC Name: (E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
SYSTEMATIC NAME: (E)-3-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-one
MOLECULAR FORMULA: C14H22O
MOLECULAR WEIGHT: 206.32388
SMILES: CC1=C(C(CCC1)(C)C)/C=C(\C)/C(=O)C
Structure:
CAS RN: 127-51-5
CAS Name: (E)-3-methyl-4-(2,6,6-trimethyl-1-cyclohex-2-enyl)-3-buten-2-one
OPENEYE Name: (E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
IUPAC Name: (E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
SYSTEMATIC NAME: (E)-3-methyl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one
MOLECULAR FORMULA: C14H22O
MOLECULAR WEIGHT: 206.32388
SMILES: CC1=CCCC(C1/C=C(\C)/C(=O)C)(C)C
Structure:
CAS RN: 3235-02-7
CAS Name: (1E)-4-methylbenzaldehyde oxime
OPENEYE Name: (1E)-4-methylbenzaldehyde oxime
IUPAC Name: (NE)-N-[(4-methylphenyl)methylidene]hydroxylamine
SYSTEMATIC NAME: (NE)-N-[(4-methylphenyl)methylidene]hydroxylamine
MOLECULAR FORMULA: C8H9NO
MOLECULAR WEIGHT: 135.16316
SMILES: CC1=CC=C(C=C1)/C=N/O
Structure:
CAS RN: 487-67-2
CAS Name: 4-hydroxy-3-methyl-2-[(2Z)-penta-2,4-dienyl]-1-cyclopent-2-enone
OPENEYE Name: 4-hydroxy-3-methyl-2-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-one
IUPAC Name: 4-hydroxy-3-methyl-2-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-one
SYSTEMATIC NAME: 3-methyl-4-oxidanyl-2-[(2Z)-penta-2,4-dienyl]cyclopent-2-en-1-one
MOLECULAR FORMULA: C11H14O2
MOLECULAR WEIGHT: 178.22766
SMILES: CC1=C(C(=O)CC1O)C/C=C\C=C
Structure:
CAS RN: 39998-21-5
CAS Name: (2E)-2-(1-methyl-2-pyridinylidene)acetic acid methyl ester
OPENEYE Name: methyl (2E)-2-(1-methyl-2-pyridylidene)acetate
IUPAC Name: methyl (2E)-2-(1-methylpyridin-2-ylidene)acetate
SYSTEMATIC NAME: methyl (2E)-2-(1-methylpyridin-2-ylidene)ethanoate
MOLECULAR FORMULA: C9H11NO2
MOLECULAR WEIGHT: 165.18914
SMILES: CN\1C=CC=C/C1=C\C(=O)OC
Structure:
CAS RN: 57244-54-9
CAS Name: 4-[(Z)-4-(4-hydroxyphenyl)-4-methylpent-2-en-2-yl]phenol
OPENEYE Name: 4-[(Z)-3-(4-hydroxyphenyl)-1,3-dimethyl-but-1-enyl]phenol
IUPAC Name: 4-[(Z)-4-(4-hydroxyphenyl)-4-methylpent-2-en-2-yl]phenol
SYSTEMATIC NAME: 4-[(Z)-4-(4-hydroxyphenyl)-4-methyl-pent-2-en-2-yl]phenol
MOLECULAR FORMULA: C18H20O2
MOLECULAR WEIGHT: 268.3502
SMILES: C/C(=C/C(C)(C)C1=CC=C(C=C1)O)/C2=CC=C(C=C2)O
Structure:
CAS RN: 68299-18-3
CAS Name: 4-[(Z)-4-(4-hydroxyphenyl)-4-methylpent-2-en-2-yl]phenol
OPENEYE Name: 4-[(Z)-3-(4-hydroxyphenyl)-1,3-dimethyl-but-1-enyl]phenol
IUPAC Name: 4-[(Z)-4-(4-hydroxyphenyl)-4-methylpent-2-en-2-yl]phenol
SYSTEMATIC NAME: 4-[(Z)-4-(4-hydroxyphenyl)-4-methyl-pent-2-en-2-yl]phenol
MOLECULAR FORMULA: C18H20O2
MOLECULAR WEIGHT: 268.3502
SMILES: C/C(=C/C(C)(C)C1=CC=C(C=C1)O)/C2=CC=C(C=C2)O
Structure:
CAS RN: 76128-51-3
CAS Name: N'-(1,3-benzothiazol-2-ylamino)-N-oxoethanimidamide
OPENEYE Name: N'-(1,3-benzothiazol-2-ylamino)-N-oxo-acetamidine
IUPAC Name: N'-(1,3-benzothiazol-2-ylamino)-N-oxoethanimidamide
SYSTEMATIC NAME: N'-(1,3-benzothiazol-2-ylamino)-N-oxidanylidene-ethanimidamide
MOLECULAR FORMULA: C9H8N4OS
MOLECULAR WEIGHT: 220.25102
SMILES: C/C(=N/NC1=NC2=CC=CC=C2S1)/N=O
Structure:
CAS RN: 2832-40-8
CAS Name: N-[4-[(2E)-2-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]phenyl]acetamide
OPENEYE Name: N-[4-[(2E)-2-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]phenyl]acetamide
IUPAC Name: N-[4-[(2E)-2-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(2E)-2-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]ethanamide
MOLECULAR FORMULA: C15H15N3O2
MOLECULAR WEIGHT: 269.2985
SMILES: CC1=C/C(=N\NC2=CC=C(C=C2)NC(=O)C)/C(=O)C=C1
Structure:
CAS RN: 12227-01-9
CAS Name: N-[4-[(2E)-2-(3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]phenyl]acetamide
OPENEYE Name: N-[4-[(2E)-2-(3-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]phenyl]acetamide
IUPAC Name: N-[4-[(2E)-2-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]acetamide
SYSTEMATIC NAME: N-[4-[(2E)-2-(3-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]phenyl]ethanamide
MOLECULAR FORMULA: C15H15N3O2
MOLECULAR WEIGHT: 269.2985
SMILES: CC1=C/C(=N\NC2=CC=C(C=C2)NC(=O)C)/C(=O)C=C1
Structure:
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