CAS RN: 6948-33-0
CAS Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3-bromo-4-hydroxy-5-methoxy-phenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)prop-2-enoic acid
MOLECULAR FORMULA: C10H9BrO4
MOLECULAR WEIGHT: 273.08006
SMILES: COC1=C(C(=CC(=C1)/C=C/C(=O)O)Br)O
Structure:
CAS RN: 18664-39-6
CAS Name: (E)-3-(4-cyanophenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(4-cyanophenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(4-cyanophenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(4-cyanophenyl)prop-2-enoic acid
MOLECULAR FORMULA: C10H7NO2
MOLECULAR WEIGHT: 173.16808
SMILES: C1=CC(=CC=C1/C=C/C(=O)O)C#N
Structure:
CAS RN: 113170-72-2
CAS Name: 3-bromo-5-(trifluoromethyl)benzene-1,2-diamine
OPENEYE Name: 3-bromo-5-(trifluoromethyl)benzene-1,2-diamine
IUPAC Name: 3-bromo-5-(trifluoromethyl)benzene-1,2-diamine
SYSTEMATIC NAME: 3-bromanyl-5-(trifluoromethyl)benzene-1,2-diamine
MOLECULAR FORMULA: C7H6BrF3N2
MOLECULAR WEIGHT: 255.03515
SMILES: C1=C(C=C(C(=C1N)N)Br)C(F)(F)F
Structure:
CAS RN: 132915-80-1
CAS Name: 3-chloro-5-(trifluoromethyl)benzene-1,2-diamine
OPENEYE Name: 3-chloro-5-(trifluoromethyl)benzene-1,2-diamine
IUPAC Name: 3-chloro-5-(trifluoromethyl)benzene-1,2-diamine
SYSTEMATIC NAME: 3-chloranyl-5-(trifluoromethyl)benzene-1,2-diamine
MOLECULAR FORMULA: C7H6ClF3N2
MOLECULAR WEIGHT: 210.58415
SMILES: C1=C(C=C(C(=C1N)N)Cl)C(F)(F)F
Structure:
CAS RN: 19047-31-5
CAS Name: 2-chloro-N-cyclopropylacetamide
OPENEYE Name: 2-chloro-N-cyclopropyl-acetamide
IUPAC Name: 2-chloro-N-cyclopropylacetamide
SYSTEMATIC NAME: 2-chloranyl-N-cyclopropyl-ethanamide
MOLECULAR FORMULA: C5H8ClNO
MOLECULAR WEIGHT: 133.57612
SMILES: C1CC1NC(=O)CCl
Structure:
CAS RN: 132942-81-5
CAS Name: 4-chloro-5-fluorobenzene-1,2-diamine
OPENEYE Name: 4-chloro-5-fluoro-benzene-1,2-diamine
IUPAC Name: 4-chloro-5-fluorobenzene-1,2-diamine
SYSTEMATIC NAME: 4-chloranyl-5-fluoranyl-benzene-1,2-diamine
MOLECULAR FORMULA: C6H6ClFN2
MOLECULAR WEIGHT: 160.576643
SMILES: C1=C(C(=CC(=C1F)Cl)N)N
Structure:
CAS RN: 139512-70-2
CAS Name: 4-chloro-5-fluorobenzene-1,2-diamine
OPENEYE Name: 4-chloro-5-fluoro-benzene-1,2-diamine
IUPAC Name: 4-chloro-5-fluorobenzene-1,2-diamine
SYSTEMATIC NAME: 4-chloranyl-5-fluoranyl-benzene-1,2-diamine
MOLECULAR FORMULA: C6H6ClFN2
MOLECULAR WEIGHT: 160.576643
SMILES: C1=C(C(=CC(=C1F)Cl)N)N
Structure:
CAS RN: 30391-87-8
CAS Name: 2-amino-N-[(2R)-butan-2-yl]benzamide
OPENEYE Name: 2-amino-N-[(1R)-1-methylpropyl]benzamide
IUPAC Name: 2-amino-N-[(2R)-butan-2-yl]benzamide
SYSTEMATIC NAME: 2-azanyl-N-[(2R)-butan-2-yl]benzamide
MOLECULAR FORMULA: C11H16N2O
MOLECULAR WEIGHT: 192.25754
SMILES: CC[C@@H](C)NC(=O)C1=CC=CC=C1N
Structure:
CAS RN: 30391-87-8
CAS Name: 2-amino-N-[(2S)-butan-2-yl]benzamide
OPENEYE Name: 2-amino-N-[(1S)-1-methylpropyl]benzamide
IUPAC Name: 2-amino-N-[(2S)-butan-2-yl]benzamide
SYSTEMATIC NAME: 2-azanyl-N-[(2S)-butan-2-yl]benzamide
MOLECULAR FORMULA: C11H16N2O
MOLECULAR WEIGHT: 192.25754
SMILES: CC[C@H](C)NC(=O)C1=CC=CC=C1N
Structure:
CAS RN: 5585-33-1
CAS Name: 2-(4-morpholinyl)aniline
OPENEYE Name: 2-morpholinoaniline
IUPAC Name: 2-morpholin-4-ylaniline
SYSTEMATIC NAME: 2-morpholin-4-ylaniline
MOLECULAR FORMULA: C10H14N2O
MOLECULAR WEIGHT: 178.23096
SMILES: C1COCCN1C2=CC=CC=C2N
Structure:
CAS RN: 90-50-6
CAS Name: (E)-3-(3,4,5-trimethoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C12H14O5
MOLECULAR WEIGHT: 238.23656
SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)O
Structure:
CAS RN: 91403-61-1
CAS Name: (E)-3-(3,4,5-trimethoxyphenyl)-2-propenoic acid
OPENEYE Name: (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
IUPAC Name: (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid
MOLECULAR FORMULA: C12H14O5
MOLECULAR WEIGHT: 238.23656
SMILES: COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)O
Structure:
CAS RN: 6287-35-0
CAS Name: (E)-3-anilino-2-butenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-anilinobut-2-enoate
IUPAC Name: ethyl (E)-3-anilinobut-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-phenylazanylbut-2-enoate
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: CCOC(=O)/C=C(\C)/NC1=CC=CC=C1
Structure:
CAS RN: 63885-09-6
CAS Name: (E)-3-anilino-2-butenoic acid ethyl ester
OPENEYE Name: ethyl (E)-3-anilinobut-2-enoate
IUPAC Name: ethyl (E)-3-anilinobut-2-enoate
SYSTEMATIC NAME: ethyl (E)-3-phenylazanylbut-2-enoate
MOLECULAR FORMULA: C12H15NO2
MOLECULAR WEIGHT: 205.253
SMILES: CCOC(=O)/C=C(\C)/NC1=CC=CC=C1
Structure:
CAS RN: 3973-06-6
CAS Name: (2S)-2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
OPENEYE Name: (2S)-2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
IUPAC Name: (2S)-2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
SYSTEMATIC NAME: (2S)-2-methyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-one
MOLECULAR FORMULA: C10H12N2O
MOLECULAR WEIGHT: 176.21508
SMILES: C[C@H]1CC(=O)NC2=CC=CC=C2N1
Structure:
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