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

Systemtic Name: 3-[(2E)-2-(furan-2-ylmethylidene)-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[(2E)-2-(2-furylmethylene)-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[(2E)-2-(2-furanylmethylidene)-3-oxo-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[(2E)-2-(furan-2-ylmethylidene)-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[(2E)-2-(2-furfurylidene)-3-keto-1,4-benzoxazin-4-yl]propionic acid Formula: C16H13NO5 MolecularWeight: 299.27812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)C(=CC3=CC=CO3)O2)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)/C(=C\C3=CC=CO3)/O2)CCC(=O)O

InChI

InChI=1S/C16H13NO5/c18-15(19)7-8-17-12-5-1-2-6-13(12)22-14(16(17)20)10-11-4-3-9-21-11/h1-6,9-10H,7-8H2,(H,18,19)/b14-10+