2-[(2E)-2-[(3-bromanyl-4-methoxy-phenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoic acid

Systemtic Name: 2-[(2E)-2-[(3-bromanyl-4-methoxy-phenyl)methylidene]-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoic acid Openeye Name: 2-[(2E)-2-[(3-bromo-4-methoxy-phenyl)methylene]-3-oxo-1,4-benzoxazin-4-yl]acetic acid CAS Name: 2-[(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]acetic acid IUPAC Name: 2-[(2E)-2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-1,4-benzoxazin-4-yl]acetic acid Traditional Name: 2-[(2E)-2-(3-bromo-4-methoxy-benzylidene)-3-keto-1,4-benzoxazin-4-yl]acetic acid Formula: C18H14BrNO5 MolecularWeight: 404.21146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)N(C3=CC=CC=C3O2)CC(=O)O)Br

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/2\C(=O)N(C3=CC=CC=C3O2)CC(=O)O)Br

InChI

InChI=1S/C18H14BrNO5/c1-24-14-7-6-11(8-12(14)19)9-16-18(23)20(10-17(21)22)13-4-2-3-5-15(13)25-16/h2-9H,10H2,1H3,(H,21,22)/b16-9+