2-[(E)-3-(4-bromophenyl)prop-2-enoyl]-7-(methylamino)cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-[(E)-3-(4-bromophenyl)prop-2-enoyl]-7-(methylamino)cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[(E)-3-(4-bromophenyl)prop-2-enoyl]-7-(methylamino)cyclohepta-2,4,6-trien-1-one CAS Name: 2-[(E)-3-(4-bromophenyl)-1-oxoprop-2-enyl]-7-(methylamino)-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[(E)-3-(4-bromophenyl)prop-2-enoyl]-7-(methylamino)cyclohepta-2,4,6-trien-1-one Traditional Name: 2-[(E)-3-(4-bromophenyl)acryloyl]-7-(methylamino)cyclohepta-2,4,6-trien-1-one Formula: C17H14BrNO2 MolecularWeight: 344.20256

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC=CC=C(C1=O)C(=O)C=CC2=CC=C(C=C2)Br

Isomeric SMILES

CNC1=CC=CC=C(C1=O)C(=O)/C=C/C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H14BrNO2/c1-19-15-5-3-2-4-14(17(15)21)16(20)11-8-12-6-9-13(18)10-7-12/h2-11H,1H3,(H,19,21)/b11-8+