4-[4-[3-[2,4-bis(oxidanylidene)chromen-3-yl]cyclohexen-1-yl]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[3-[2,4-bis(oxidanylidene)chromen-3-yl]cyclohexen-1-yl]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[3-(2,4-dioxochroman-3-yl)cyclohexen-1-yl]phenyl]benzonitrile CAS Name: 4-[4-[3-(2,4-dioxo-3,4-dihydro-2H-1-benzopyran-3-yl)-1-cyclohexenyl]phenyl]benzonitrile IUPAC Name: 4-[4-[3-(2,4-dioxochromen-3-yl)cyclohexen-1-yl]phenyl]benzonitrile Traditional Name: 4-[4-[3-(2,4-diketochroman-3-yl)cyclohexen-1-yl]phenyl]benzonitrile Formula: C28H21NO3 MolecularWeight: 419.47124

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=C(C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C4C(=O)C5=CC=CC=C5OC4=O

Isomeric SMILES

C1CC(C=C(C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N)C4C(=O)C5=CC=CC=C5OC4=O

InChI

InChI=1S/C28H21NO3/c29-17-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-4-3-5-23(16-22)26-27(30)24-6-1-2-7-25(24)32-28(26)31/h1-2,6-16,23,26H,3-5H2