3-[3-(3-cyanophenyl)-4,6,7-trimethoxy-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl]benzenecarbonitrile

Systemtic Name: 3-[3-(3-cyanophenyl)-4,6,7-trimethoxy-5-oxidanylidene-cyclohepta-1,3,6-trien-1-yl]benzenecarbonitrile Openeye Name: 3-[3-(3-cyanophenyl)-4,6,7-trimethoxy-5-oxo-cyclohepta-1,3,6-trien-1-yl]benzonitrile CAS Name: 3-[3-(3-cyanophenyl)-4,6,7-trimethoxy-5-oxo-1-cyclohepta-1,3,6-trienyl]benzonitrile IUPAC Name: 3-[3-(3-cyanophenyl)-4,6,7-trimethoxy-5-oxocyclohepta-1,3,6-trien-1-yl]benzonitrile Traditional Name: 3-[3-(3-cyanophenyl)-5-keto-4,6,7-trimethoxy-cyclohepta-1,3,6-trien-1-yl]benzonitrile Formula: C24H18N2O4 MolecularWeight: 398.41072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C(=C(C=C1C2=CC=CC(=C2)C#N)C3=CC=CC(=C3)C#N)OC)OC

Isomeric SMILES

COC1=C(C(=O)C(=C(C=C1C2=CC=CC(=C2)C#N)C3=CC=CC(=C3)C#N)OC)OC

InChI

InChI=1S/C24H18N2O4/c1-28-22-19(17-8-4-6-15(10-17)13-25)12-20(18-9-5-7-16(11-18)14-26)23(29-2)24(30-3)21(22)27/h4-12H,1-3H3