3-[(E)-3-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)prop-2-enoyl]chromen-2-one

Systemtic Name: 3-[(E)-3-(2-bromanyl-4-methoxy-5-oxidanyl-phenyl)prop-2-enoyl]chromen-2-one Openeye Name: 3-[(E)-3-(2-bromo-5-hydroxy-4-methoxy-phenyl)prop-2-enoyl]chromen-2-one CAS Name: 3-[(E)-3-(2-bromo-5-hydroxy-4-methoxyphenyl)-1-oxoprop-2-enyl]-1-benzopyran-2-one IUPAC Name: 3-[(E)-3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enoyl]chromen-2-one Traditional Name: 3-[(E)-3-(2-bromo-5-hydroxy-4-methoxy-phenyl)acryloyl]coumarin Formula: C19H13BrO5 MolecularWeight: 401.20752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)Br)C=CC(=O)C2=CC3=CC=CC=C3OC2=O)O

Isomeric SMILES

COC1=C(C=C(C(=C1)Br)/C=C/C(=O)C2=CC3=CC=CC=C3OC2=O)O

InChI

InChI=1S/C19H13BrO5/c1-24-18-10-14(20)11(9-16(18)22)6-7-15(21)13-8-12-4-2-3-5-17(12)25-19(13)23/h2-10,22H,1H3/b7-6+