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

Systemtic Name: (2S)-2-[(2E)-2-(furan-2-ylmethylidene)-6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoic acid Openeye Name: (2S)-2-[(2E)-2-(2-furylmethylene)-6-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoic acid CAS Name: (2S)-2-[(2E)-2-(2-furanylmethylidene)-6-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoic acid IUPAC Name: (2S)-2-[(2E)-2-(furan-2-ylmethylidene)-6-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoic acid Traditional Name: (2S)-2-[(2E)-2-(2-furfurylidene)-3-keto-6-methyl-1,4-benzoxazin-4-yl]butyric acid Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N1C2=C(C=CC(=C2)C)OC(=CC3=CC=CO3)C1=O

Isomeric SMILES

CC[C@@H](C(=O)O)N1C2=C(C=CC(=C2)C)O/C(=C/C3=CC=CO3)/C1=O

InChI

InChI=1S/C18H17NO5/c1-3-13(18(21)22)19-14-9-11(2)6-7-15(14)24-16(17(19)20)10-12-5-4-8-23-12/h4-10,13H,3H2,1-2H3,(H,21,22)/b16-10+/t13-/m0/s1