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

Systemtic Name: 3-[(2E)-2-(furan-2-ylmethylidene)-6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[(2E)-2-(2-furylmethylene)-6-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[(2E)-2-(2-furanylmethylidene)-6-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[(2E)-2-(furan-2-ylmethylidene)-6-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[(2E)-2-(2-furfurylidene)-3-keto-6-methyl-1,4-benzoxazin-4-yl]propionic acid Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC3=CC=CO3)C(=O)N2CCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)O/C(=C/C3=CC=CO3)/C(=O)N2CCC(=O)O

InChI

InChI=1S/C17H15NO5/c1-11-4-5-14-13(9-11)18(7-6-16(19)20)17(21)15(23-14)10-12-3-2-8-22-12/h2-5,8-10H,6-7H2,1H3,(H,19,20)/b15-10+