3-(5-nitrobenzotriazol-1-yl)-3-phenyl-2-benzofuran-1-one

Systemtic Name: 3-(5-nitrobenzotriazol-1-yl)-3-phenyl-2-benzofuran-1-one Openeye Name: 3-(5-nitrobenzotriazol-1-yl)-3-phenyl-isobenzofuran-1-one CAS Name: 3-(5-nitro-1-benzotriazolyl)-3-phenyl-1-isobenzofuranone IUPAC Name: 3-(5-nitrobenzotriazol-1-yl)-3-phenyl-2-benzofuran-1-one Traditional Name: 3-(5-nitrobenzotriazol-1-yl)-3-phenyl-phthalide Formula: C20H12N4O4 MolecularWeight: 372.33368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)N4C5=C(C=C(C=C5)[N+](=O)[O-])N=N4

Isomeric SMILES

C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)N4C5=C(C=C(C=C5)[N+](=O)[O-])N=N4

InChI

InChI=1S/C20H12N4O4/c25-19-15-8-4-5-9-16(15)20(28-19,13-6-2-1-3-7-13)23-18-11-10-14(24(26)27)12-17(18)21-22-23/h1-12H