2-[(E)-3-(4-cyanophenyl)prop-2-enoyl]-7-oxidanylidene-cyclohepta-1,3,5-trien-1-olate

Systemtic Name: 2-[(E)-3-(4-cyanophenyl)prop-2-enoyl]-7-oxidanylidene-cyclohepta-1,3,5-trien-1-olate Openeye Name: 2-[(E)-3-(4-cyanophenyl)prop-2-enoyl]-7-oxo-cyclohepta-1,3,5-trien-1-olate CAS Name: 2-[(E)-3-(4-cyanophenyl)-1-oxoprop-2-enyl]-7-oxo-1-cyclohepta-1,3,5-trienolate IUPAC Name: 2-[(E)-3-(4-cyanophenyl)prop-2-enoyl]-7-oxocyclohepta-1,3,5-trien-1-olate Traditional Name: 2-[(E)-3-(4-cyanophenyl)acryloyl]-7-keto-cyclohepta-1,3,5-trien-1-olate Formula: C17H10NO3- MolecularWeight: 276.2662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=O)C=C1)[O-])C(=O)C=CC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC(=C(C(=O)C=C1)[O-])C(=O)/C=C/C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H11NO3/c18-11-13-7-5-12(6-8-13)9-10-15(19)14-3-1-2-4-16(20)17(14)21/h1-10H,(H,20,21)/p-1/b10-9+