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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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