5-(2,5-dimethylpyrrol-1-yl)-3-[(E)-prop-1-enyl]-3H-2-benzofuran-1-one

Systemtic Name: 5-(2,5-dimethylpyrrol-1-yl)-3-[(E)-prop-1-enyl]-3H-2-benzofuran-1-one Openeye Name: 5-(2,5-dimethylpyrrol-1-yl)-3-[(E)-prop-1-enyl]-3H-isobenzofuran-1-one CAS Name: 5-(2,5-dimethyl-1-pyrrolyl)-3-[(E)-prop-1-enyl]-3H-isobenzofuran-1-one IUPAC Name: 5-(2,5-dimethylpyrrol-1-yl)-3-[(E)-prop-1-enyl]-3H-2-benzofuran-1-one Traditional Name: 5-(2,5-dimethylpyrrol-1-yl)-3-[(E)-prop-1-enyl]phthalide Formula: C17H17NO2 MolecularWeight: 267.32238

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1C2=C(C=CC(=C2)N3C(=CC=C3C)C)C(=O)O1

Isomeric SMILES

C/C=C/C1C2=C(C=CC(=C2)N3C(=CC=C3C)C)C(=O)O1

InChI

InChI=1S/C17H17NO2/c1-4-5-16-15-10-13(8-9-14(15)17(19)20-16)18-11(2)6-7-12(18)3/h4-10,16H,1-3H3/b5-4+