2-[2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl]oxyethanenitrile

Systemtic Name: 2-[2-(4-tert-butylphenyl)-6-chloranyl-7-methyl-4-oxidanylidene-chromen-3-yl]oxyethanenitrile Openeye Name: 2-[2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxo-chromen-3-yl]oxyacetonitrile CAS Name: 2-[[2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxo-1-benzopyran-3-yl]oxy]acetonitrile IUPAC Name: 2-[2-(4-tert-butylphenyl)-6-chloro-7-methyl-4-oxochromen-3-yl]oxyacetonitrile Traditional Name: 2-[2-(4-tert-butylphenyl)-6-chloro-4-keto-7-methyl-chromen-3-yl]oxyacetonitrile Formula: C22H20ClNO3 MolecularWeight: 381.8521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=C(C2=O)OCC#N)C3=CC=C(C=C3)C(C)(C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=C(C2=O)OCC#N)C3=CC=C(C=C3)C(C)(C)C)Cl

InChI

InChI=1S/C22H20ClNO3/c1-13-11-18-16(12-17(13)23)19(25)21(26-10-9-24)20(27-18)14-5-7-15(8-6-14)22(2,3)4/h5-8,11-12H,10H2,1-4H3