2-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]indene-1,3-dione

Systemtic Name: 2-[(3-bromanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]indene-1,3-dione Openeye Name: 2-[(3-bromo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]indane-1,3-dione CAS Name: 2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]indene-1,3-dione IUPAC Name: 2-[(3-bromo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]indene-1,3-dione Traditional Name: 2-(3-bromo-5-methoxy-4-propargyloxy-benzylidene)indane-1,3-quinone Formula: C20H13BrO4 MolecularWeight: 397.21882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)Br)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)Br)OCC#C

InChI

InChI=1S/C20H13BrO4/c1-3-8-25-20-16(21)10-12(11-17(20)24-2)9-15-18(22)13-6-4-5-7-14(13)19(15)23/h1,4-7,9-11H,8H2,2H3