(5-methyl-2-oxidanylidene-oxolan-3-yl) 4-pyrrol-1-ylbenzoate

Systemtic Name: (5-methyl-2-oxidanylidene-oxolan-3-yl) 4-pyrrol-1-ylbenzoate Openeye Name: (5-methyl-2-oxo-tetrahydrofuran-3-yl) 4-pyrrol-1-ylbenzoate CAS Name: 4-(1-pyrrolyl)benzoic acid (5-methyl-2-oxo-3-oxolanyl) ester IUPAC Name: (5-methyl-2-oxooxolan-3-yl) 4-pyrrol-1-ylbenzoate Traditional Name: 4-pyrrol-1-ylbenzoic acid (2-keto-5-methyl-tetrahydrofuran-3-yl) ester Formula: C16H15NO4 MolecularWeight: 285.2946

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)OC(=O)C2=CC=C(C=C2)N3C=CC=C3

Isomeric SMILES

CC1CC(C(=O)O1)OC(=O)C2=CC=C(C=C2)N3C=CC=C3

InChI

InChI=1S/C16H15NO4/c1-11-10-14(16(19)20-11)21-15(18)12-4-6-13(7-5-12)17-8-2-3-9-17/h2-9,11,14H,10H2,1H3