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

Systemtic Name: 2-[(E)-3-(3-bromophenyl)prop-2-enoyl]-7-oxidanylidene-cyclohepta-1,3,5-trien-1-olate Openeye Name: 2-[(E)-3-(3-bromophenyl)prop-2-enoyl]-7-oxo-cyclohepta-1,3,5-trien-1-olate CAS Name: 2-[(E)-3-(3-bromophenyl)-1-oxoprop-2-enyl]-7-oxo-1-cyclohepta-1,3,5-trienolate IUPAC Name: 2-[(E)-3-(3-bromophenyl)prop-2-enoyl]-7-oxocyclohepta-1,3,5-trien-1-olate Traditional Name: 2-[(E)-3-(3-bromophenyl)acryloyl]-7-keto-cyclohepta-1,3,5-trien-1-olate Formula: C16H10BrO3- MolecularWeight: 330.1528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrO3/c17-12-5-3-4-11(10-12)8-9-14(18)13-6-1-2-7-15(19)16(13)20/h1-10H,(H,19,20)/p-1/b9-8+