8-chloranyl-1',3'-bis(oxidanylidene)-3-phenyl-spiro[3H-2-benzoxepine-1,2'-indene]-5-carbonitrile

Systemtic Name: 8-chloranyl-1',3'-bis(oxidanylidene)-3-phenyl-spiro[3H-2-benzoxepine-1,2'-indene]-5-carbonitrile Openeye Name: 8-chloro-1',3'-dioxo-3-phenyl-spiro[3H-2-benzoxepine-1,2'-indane]-5-carbonitrile CAS Name: 8-chloro-1',3'-dioxo-3-phenyl-5-spiro[3H-2-benzoxepin-1,2'-indene]carbonitrile IUPAC Name: 8-chloro-1',3'-dioxo-3-phenylspiro[3H-2-benzoxepine-1,2'-indene]-5-carbonitrile Traditional Name: 8-chloro-1',3'-diketo-3-phenyl-spiro[3H-2-benzoxepin-1,2'-indane]-5-carbonitrile Formula: C25H14ClNO3 MolecularWeight: 411.83656

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C=C(C3=C(C=C(C=C3)Cl)C4(O2)C(=O)C5=CC=CC=C5C4=O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2C=C(C3=C(C=C(C=C3)Cl)C4(O2)C(=O)C5=CC=CC=C5C4=O)C#N

InChI

InChI=1S/C25H14ClNO3/c26-17-10-11-18-16(14-27)12-22(15-6-2-1-3-7-15)30-25(21(18)13-17)23(28)19-8-4-5-9-20(19)24(25)29/h1-13,22H