CAS RN: 137988-14-8
CAS Name: acetic acid [3-(2-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester
OPENEYE Name: [3-(2-methylphenoxy)-4-oxo-chromen-7-yl] acetate
IUPAC Name: [3-(2-methylphenoxy)-4-oxochromen-7-yl] acetate
SYSTEMATIC NAME: [3-(2-methylphenoxy)-4-oxidanylidene-chromen-7-yl] ethanoate
MOLECULAR FORMULA: C18H14O5
MOLECULAR WEIGHT: 310.30076
SMILES: CC1=CC=CC=C1OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C
Structure:
CAS RN: 123808-97-9
CAS Name: (3R,7aS)-7a-methyl-3-propan-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b]oxazol-5-one
OPENEYE Name: (3R,7aS)-3-isopropyl-7a-methyl-2,3,6,7-tetrahydropyrrolo[2,1-b]oxazol-5-one
IUPAC Name: (3R,7aS)-7a-methyl-3-propan-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
SYSTEMATIC NAME: (3R,7aS)-7a-methyl-3-propan-2-yl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
MOLECULAR FORMULA: C10H17NO2
MOLECULAR WEIGHT: 183.24748
SMILES: CC(C)[C@@H]1CO[C@@]2(N1C(=O)CC2)C
Structure:
CAS RN: 118313-35-2
CAS Name: 5-methoxy-2H-isoquinolin-1-one
OPENEYE Name: 5-methoxy-2H-isoquinolin-1-one
IUPAC Name: 5-methoxy-2H-isoquinolin-1-one
SYSTEMATIC NAME: 5-methoxy-2H-isoquinolin-1-one
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: COC1=CC=CC2=C1C=CNC2=O
Structure:
CAS RN: 2916-09-8
CAS Name: 2-ethyl-3,1-benzoxazin-4-one
OPENEYE Name: 2-ethyl-3,1-benzoxazin-4-one
IUPAC Name: 2-ethyl-3,1-benzoxazin-4-one
SYSTEMATIC NAME: 2-ethyl-3,1-benzoxazin-4-one
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: CCC1=NC2=CC=CC=C2C(=O)O1
Structure:
CAS RN: 10387-49-2
CAS Name: acetic acid (2-oxo-1-benzopyran-7-yl) ester
OPENEYE Name: (2-oxochromen-7-yl) acetate
IUPAC Name: (2-oxochromen-7-yl) acetate
SYSTEMATIC NAME: (2-oxidanylidenechromen-7-yl) ethanoate
MOLECULAR FORMULA: C11H8O4
MOLECULAR WEIGHT: 204.17882
SMILES: CC(=O)OC1=CC2=C(C=C1)C=CC(=O)O2
Structure:
CAS RN: 137988-12-6
CAS Name: acetic acid [3-(4-methylphenoxy)-4-oxo-1-benzopyran-7-yl] ester
OPENEYE Name: [3-(4-methylphenoxy)-4-oxo-chromen-7-yl] acetate
IUPAC Name: [3-(4-methylphenoxy)-4-oxochromen-7-yl] acetate
SYSTEMATIC NAME: [3-(4-methylphenoxy)-4-oxidanylidene-chromen-7-yl] ethanoate
MOLECULAR FORMULA: C18H14O5
MOLECULAR WEIGHT: 310.30076
SMILES: CC1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OC(=O)C
Structure:
CAS RN: 2962-89-2
CAS Name: 1,3-dimethyl-5-oxidobenzo[g]pteridin-5-ium-2,4-dione
OPENEYE Name: 1,3-dimethyl-5-oxido-benzo[g]pteridin-5-ium-2,4-dione
IUPAC Name: 1,3-dimethyl-5-oxidobenzo[g]pteridin-5-ium-2,4-dione
SYSTEMATIC NAME: 1,3-dimethyl-5-oxidanidyl-benzo[g]pteridin-5-ium-2,4-dione
MOLECULAR FORMULA: C12H10N4O3
MOLECULAR WEIGHT: 258.2328
SMILES: CN1C2=NC3=CC=CC=C3[N+](=C2C(=O)N(C1=O)C)[O-]
Structure:
CAS RN: 137988-18-2
CAS Name: acetic acid [3-(4-nitrophenoxy)-4-oxo-1-benzopyran-7-yl] ester
OPENEYE Name: [3-(4-nitrophenoxy)-4-oxo-chromen-7-yl] acetate
IUPAC Name: [3-(4-nitrophenoxy)-4-oxochromen-7-yl] acetate
SYSTEMATIC NAME: [3-(4-nitrophenoxy)-4-oxidanylidene-chromen-7-yl] ethanoate
MOLECULAR FORMULA: C17H11NO7
MOLECULAR WEIGHT: 341.27174
SMILES: CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)[N+](=O)[O-]
Structure:
CAS RN: 869941-71-9
CAS Name: 2-methyl-N-(pyridin-4-ylmethyl)-1-propanamine
OPENEYE Name: 2-methyl-N-(4-pyridylmethyl)propan-1-amine
IUPAC Name: 2-methyl-N-(pyridin-4-ylmethyl)propan-1-amine
SYSTEMATIC NAME: 2-methyl-N-(pyridin-4-ylmethyl)propan-1-amine
MOLECULAR FORMULA: C10H16N2
MOLECULAR WEIGHT: 164.24744
SMILES: CC(C)CNCC1=CC=NC=C1
Structure:
CAS RN: 85590-94-9
CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloroacetamide
OPENEYE Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloro-acetamide
IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloroacetamide
SYSTEMATIC NAME: 2-chloranyl-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide
MOLECULAR FORMULA: C11H10ClNO4
MOLECULAR WEIGHT: 255.6544
SMILES: CC(=O)C1=CC2=C(C=C1NC(=O)CCl)OCO2
Structure:
CAS RN: 7496-17-5
CAS Name: (Z)-2-(2-chlorophenyl)-3-[4-(dimethylamino)phenyl]-2-propenenitrile
OPENEYE Name: (Z)-2-(2-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
IUPAC Name: (Z)-2-(2-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
SYSTEMATIC NAME: (Z)-2-(2-chlorophenyl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
MOLECULAR FORMULA: C17H15ClN2
MOLECULAR WEIGHT: 282.7674
SMILES: CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C2=CC=CC=C2Cl
Structure:
CAS RN: 77822-84-5
CAS Name: N-(1,3-benzodioxol-5-yl)-1-(3-pyridinyl)methanimine
OPENEYE Name: N-(1,3-benzodioxol-5-yl)-1-(3-pyridyl)methanimine
IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylmethanimine
SYSTEMATIC NAME: N-(1,3-benzodioxol-5-yl)-1-pyridin-3-yl-methanimine
MOLECULAR FORMULA: C13H10N2O2
MOLECULAR WEIGHT: 226.2307
SMILES: C1OC2=C(O1)C=C(C=C2)N=CC3=CN=CC=C3
Structure:
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