1,3-bis(oxidanylidene)-5-[3-(2,3,5-trimethylphenoxy)propoxy]indene-2-carbonitrile

Systemtic Name: 1,3-bis(oxidanylidene)-5-[3-(2,3,5-trimethylphenoxy)propoxy]indene-2-carbonitrile Openeye Name: 1,3-dioxo-5-[3-(2,3,5-trimethylphenoxy)propoxy]indane-2-carbonitrile CAS Name: 1,3-dioxo-5-[3-(2,3,5-trimethylphenoxy)propoxy]-2-indenecarbonitrile IUPAC Name: 1,3-dioxo-5-[3-(2,3,5-trimethylphenoxy)propoxy]indene-2-carbonitrile Traditional Name: 1,3-diketo-5-[3-(2,3,5-trimethylphenoxy)propoxy]indane-2-carbonitrile Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCOC2=CC3=C(C=C2)C(=O)C(C3=O)C#N)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCOC2=CC3=C(C=C2)C(=O)C(C3=O)C#N)C)C

InChI

InChI=1S/C22H21NO4/c1-13-9-14(2)15(3)20(10-13)27-8-4-7-26-16-5-6-17-18(11-16)22(25)19(12-23)21(17)24/h5-6,9-11,19H,4,7-8H2,1-3H3