(3E)-4-nitro-3-(phenylmethylidene)-2-benzofuran-1-one

Systemtic Name: (3E)-4-nitro-3-(phenylmethylidene)-2-benzofuran-1-one Openeye Name: (3E)-3-benzylidene-4-nitro-isobenzofuran-1-one CAS Name: (3E)-4-nitro-3-(phenylmethylene)-1-isobenzofuranone IUPAC Name: (3E)-3-benzylidene-4-nitro-2-benzofuran-1-one Traditional Name: (3E)-3-benzal-4-nitro-phthalide Formula: C15H9NO4 MolecularWeight: 267.23626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=C2C3=C(C=CC=C3[N+](=O)[O-])C(=O)O2

Isomeric SMILES

C1=CC=C(C=C1)/C=C/2\C3=C(C=CC=C3[N+](=O)[O-])C(=O)O2

InChI

InChI=1S/C15H9NO4/c17-15-11-7-4-8-12(16(18)19)14(11)13(20-15)9-10-5-2-1-3-6-10/h1-9H/b13-9+