(3S)-3-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]-3H-2-benzofuran-1-one Openeye Name: (3S)-3-[2-(4-nitrophenyl)-2-oxo-ethyl]-3H-isobenzofuran-1-one CAS Name: (3S)-3-[2-(4-nitrophenyl)-2-oxoethyl]-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-[2-(4-nitrophenyl)-2-oxoethyl]-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[2-keto-2-(4-nitrophenyl)ethyl]phthalide Formula: C16H11NO5 MolecularWeight: 297.26224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(OC2=O)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)[C@@H](OC2=O)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11NO5/c18-14(10-5-7-11(8-6-10)17(20)21)9-15-12-3-1-2-4-13(12)16(19)22-15/h1-8,15H,9H2/t15-/m0/s1