3-[(2E)-6-chloranyl-2-(furan-2-ylmethylidene)-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid

Systemtic Name: 3-[(2E)-6-chloranyl-2-(furan-2-ylmethylidene)-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[(2E)-6-chloro-2-(2-furylmethylene)-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[(2E)-6-chloro-2-(2-furanylmethylidene)-3-oxo-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[(2E)-6-chloro-2-(furan-2-ylmethylidene)-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[(2E)-6-chloro-2-(2-furfurylidene)-3-keto-1,4-benzoxazin-4-yl]propionic acid Formula: C16H12ClNO5 MolecularWeight: 333.72318

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C=C2C(=O)N(C3=C(O2)C=CC(=C3)Cl)CCC(=O)O

Isomeric SMILES

C1=COC(=C1)/C=C/2\C(=O)N(C3=C(O2)C=CC(=C3)Cl)CCC(=O)O

InChI

InChI=1S/C16H12ClNO5/c17-10-3-4-13-12(8-10)18(6-5-15(19)20)16(21)14(23-13)9-11-2-1-7-22-11/h1-4,7-9H,5-6H2,(H,19,20)/b14-9+