3-(2,4,5-trimethoxy-3-oxidanylidene-cyclohepta-1,4,6-trien-1-yl)benzenecarbonitrile

Systemtic Name: 3-(2,4,5-trimethoxy-3-oxidanylidene-cyclohepta-1,4,6-trien-1-yl)benzenecarbonitrile Openeye Name: 3-(2,4,5-trimethoxy-3-oxo-cyclohepta-1,4,6-trien-1-yl)benzonitrile CAS Name: 3-(2,4,5-trimethoxy-3-oxo-1-cyclohepta-1,4,6-trienyl)benzonitrile IUPAC Name: 3-(2,4,5-trimethoxy-3-oxocyclohepta-1,4,6-trien-1-yl)benzonitrile Traditional Name: 3-(3-keto-2,4,5-trimethoxy-cyclohepta-1,4,6-trien-1-yl)benzonitrile Formula: C17H15NO4 MolecularWeight: 297.3053

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=O)C(=C(C=C1)C2=CC=CC(=C2)C#N)OC)OC

Isomeric SMILES

COC1=C(C(=O)C(=C(C=C1)C2=CC=CC(=C2)C#N)OC)OC

InChI

InChI=1S/C17H15NO4/c1-20-14-8-7-13(12-6-4-5-11(9-12)10-18)16(21-2)15(19)17(14)22-3/h4-9H,1-3H3