(3S)-3-[1-nitro-2-[(4-phenoxyphenyl)amino]ethenyl]-3H-2-benzofuran-1-one

Systemtic Name: (3S)-3-[1-nitro-2-[(4-phenoxyphenyl)amino]ethenyl]-3H-2-benzofuran-1-one Openeye Name: (3S)-3-[1-nitro-2-(4-phenoxyanilino)vinyl]-3H-isobenzofuran-1-one CAS Name: (3S)-3-[1-nitro-2-(4-phenoxyanilino)ethenyl]-3H-isobenzofuran-1-one IUPAC Name: (3S)-3-[1-nitro-2-(4-phenoxyanilino)ethenyl]-3H-2-benzofuran-1-one Traditional Name: (3S)-3-[1-nitro-2-(4-phenoxyanilino)vinyl]phthalide Formula: C22H16N2O5 MolecularWeight: 388.37284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC=C(C3C4=CC=CC=C4C(=O)O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC=C([C@@H]3C4=CC=CC=C4C(=O)O3)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O5/c25-22-19-9-5-4-8-18(19)21(29-22)20(24(26)27)14-23-15-10-12-17(13-11-15)28-16-6-2-1-3-7-16/h1-14,21,23H/t21-/m0/s1