2-[2-(4-tert-butylphenyl)-6-methyl-4-oxidanylidene-chromen-3-yl]oxyethanenitrile

Systemtic Name: 2-[2-(4-tert-butylphenyl)-6-methyl-4-oxidanylidene-chromen-3-yl]oxyethanenitrile Openeye Name: 2-[2-(4-tert-butylphenyl)-6-methyl-4-oxo-chromen-3-yl]oxyacetonitrile CAS Name: 2-[[2-(4-tert-butylphenyl)-6-methyl-4-oxo-1-benzopyran-3-yl]oxy]acetonitrile IUPAC Name: 2-[2-(4-tert-butylphenyl)-6-methyl-4-oxochromen-3-yl]oxyacetonitrile Traditional Name: 2-[2-(4-tert-butylphenyl)-4-keto-6-methyl-chromen-3-yl]oxyacetonitrile Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C(C2=O)OCC#N)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C(C2=O)OCC#N)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H21NO3/c1-14-5-10-18-17(13-14)19(24)21(25-12-11-23)20(26-18)15-6-8-16(9-7-15)22(2,3)4/h5-10,13H,12H2,1-4H3