[(2S)-2-(1-benzofuran-2-yl)-4-oxidanylidene-butyl] 4-nitrobenzoate

Systemtic Name: [(2S)-2-(1-benzofuran-2-yl)-4-oxidanylidene-butyl] 4-nitrobenzoate Openeye Name: [(2S)-2-(benzofuran-2-yl)-4-oxo-butyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(2S)-2-(2-benzofuranyl)-4-oxobutyl] ester IUPAC Name: [(2S)-2-(1-benzofuran-2-yl)-4-oxobutyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(2S)-2-(benzofuran-2-yl)-4-keto-butyl] ester Formula: C19H15NO6 MolecularWeight: 353.3255

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(CC=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)[C@@H](CC=O)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15NO6/c21-10-9-15(18-11-14-3-1-2-4-17(14)26-18)12-25-19(22)13-5-7-16(8-6-13)20(23)24/h1-8,10-11,15H,9,12H2/t15-/m0/s1