3-[(3R)-3-(1,3-benzodioxol-5-yl)-2-ethanoyl-3,4-dihydropyrazol-5-yl]chromen-2-one

Systemtic Name: 3-[(3R)-3-(1,3-benzodioxol-5-yl)-2-ethanoyl-3,4-dihydropyrazol-5-yl]chromen-2-one Openeye Name: 3-[(3R)-2-acetyl-3-(1,3-benzodioxol-5-yl)-3,4-dihydropyrazol-5-yl]chromen-2-one CAS Name: 3-[(3R)-2-acetyl-3-(1,3-benzodioxol-5-yl)-3,4-dihydropyrazol-5-yl]-1-benzopyran-2-one IUPAC Name: 3-[(3R)-2-acetyl-3-(1,3-benzodioxol-5-yl)-3,4-dihydropyrazol-5-yl]chromen-2-one Traditional Name: 3-[(5R)-1-acetyl-5-(1,3-benzodioxol-5-yl)-2-pyrazolin-3-yl]coumarin Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(CC(=N1)C2=CC3=CC=CC=C3OC2=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(=O)N1[C@H](CC(=N1)C2=CC3=CC=CC=C3OC2=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H16N2O5/c1-12(24)23-17(13-6-7-19-20(9-13)27-11-26-19)10-16(22-23)15-8-14-4-2-3-5-18(14)28-21(15)25/h2-9,17H,10-11H2,1H3/t17-/m1/s1