4-methyl-7-prop-2-ynoxy-8-[(E)-3-pyridin-3-ylprop-2-enoyl]chromen-2-one

Systemtic Name: 4-methyl-7-prop-2-ynoxy-8-[(E)-3-pyridin-3-ylprop-2-enoyl]chromen-2-one Openeye Name: 4-methyl-7-prop-2-ynoxy-8-[(E)-3-(3-pyridyl)prop-2-enoyl]chromen-2-one CAS Name: 4-methyl-8-[(E)-1-oxo-3-(3-pyridinyl)prop-2-enyl]-7-prop-2-ynoxy-1-benzopyran-2-one IUPAC Name: 4-methyl-7-prop-2-ynoxy-8-[(E)-3-pyridin-3-ylprop-2-enoyl]chromen-2-one Traditional Name: 4-methyl-7-propargyloxy-8-[(E)-3-(3-pyridyl)acryloyl]coumarin Formula: C21H15NO4 MolecularWeight: 345.3481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C(=O)C=CC3=CN=CC=C3)OCC#C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C(=O)/C=C/C3=CN=CC=C3)OCC#C

InChI

InChI=1S/C21H15NO4/c1-3-11-25-18-9-7-16-14(2)12-19(24)26-21(16)20(18)17(23)8-6-15-5-4-10-22-13-15/h1,4-10,12-13H,11H2,2H3/b8-6+