ethyl (E)-2-bromanyl-3-[6-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]cyclohepta-1,3,5-trien-1-yl]prop-2-enoate

Systemtic Name: ethyl (E)-2-bromanyl-3-[6-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]cyclohepta-1,3,5-trien-1-yl]prop-2-enoate Openeye Name: ethyl (E)-2-bromo-3-[6-[(E)-3-ethoxy-3-oxo-prop-1-enyl]cyclohepta-1,3,5-trien-1-yl]prop-2-enoate CAS Name: (E)-2-bromo-3-[6-[(E)-3-ethoxy-3-oxoprop-1-enyl]-1-cyclohepta-1,3,5-trienyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-bromo-3-[6-[(E)-3-ethoxy-3-oxoprop-1-enyl]cyclohepta-1,3,5-trien-1-yl]prop-2-enoate Traditional Name: (E)-2-bromo-3-[6-[(E)-3-ethoxy-3-keto-prop-1-enyl]cyclohepta-1,3,5-trien-1-yl]acrylic acid ethyl ester Formula: C17H19BrO4 MolecularWeight: 367.23436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC=CC=C(C1)C=C(C(=O)OCC)Br

Isomeric SMILES

CCOC(=O)/C=C/C1=CC=CC=C(C1)/C=C(\C(=O)OCC)/Br

InChI

InChI=1S/C17H19BrO4/c1-3-21-16(19)10-9-13-7-5-6-8-14(11-13)12-15(18)17(20)22-4-2/h5-10,12H,3-4,11H2,1-2H3/b10-9+,15-12+