4-[4-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[(7,8-dimethyl-2-oxo-chromen-4-yl)methoxy]phenyl]benzonitrile CAS Name: 4-[4-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[(7,8-dimethyl-2-oxochromen-4-yl)methoxy]phenyl]benzonitrile Traditional Name: 4-[4-[(2-keto-7,8-dimethyl-chromen-4-yl)methoxy]phenyl]benzonitrile Formula: C25H19NO3 MolecularWeight: 381.42326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC3=CC=C(C=C3)C4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C25H19NO3/c1-16-3-12-23-21(13-24(27)29-25(23)17(16)2)15-28-22-10-8-20(9-11-22)19-6-4-18(14-26)5-7-19/h3-13H,15H2,1-2H3