3-[(E)-3-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoyl]-6-methyl-pyran-2,4-dione

Systemtic Name: 3-[(E)-3-(3-bromanyl-5-ethoxy-4-methoxy-phenyl)prop-2-enoyl]-6-methyl-pyran-2,4-dione Openeye Name: 3-[(E)-3-(3-bromo-5-ethoxy-4-methoxy-phenyl)prop-2-enoyl]-6-methyl-pyran-2,4-dione CAS Name: 3-[(E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-1-oxoprop-2-enyl]-6-methylpyran-2,4-dione IUPAC Name: 3-[(E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)prop-2-enoyl]-6-methylpyran-2,4-dione Traditional Name: 3-[(E)-3-(3-bromo-5-ethoxy-4-methoxy-phenyl)acryloyl]-6-methyl-pyran-2,4-quinone Formula: C18H17BrO6 MolecularWeight: 409.22798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC(=O)C2C(=O)C=C(OC2=O)C)Br)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C(=O)C2C(=O)C=C(OC2=O)C)Br)OC

InChI

InChI=1S/C18H17BrO6/c1-4-24-15-9-11(8-12(19)17(15)23-3)5-6-13(20)16-14(21)7-10(2)25-18(16)22/h5-9,16H,4H2,1-3H3/b6-5+