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

Systemtic Name: (2S)-2-[(2E)-2-(furan-2-ylmethylidene)-6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: (2S)-2-[(2E)-2-(2-furylmethylene)-6-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: (2S)-2-[(2E)-2-(2-furanylmethylidene)-6-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: (2S)-2-[(2E)-2-(furan-2-ylmethylidene)-6-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: (2S)-2-[(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)N2C(C)C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)O/C(=C/C3=CC=CO3)/C(=O)N2[C@@H](C)C(=O)O

InChI

InChI=1S/C17H15NO5/c1-10-5-6-14-13(8-10)18(11(2)17(20)21)16(19)15(23-14)9-12-4-3-7-22-12/h3-9,11H,1-2H3,(H,20,21)/b15-9+/t11-/m0/s1