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

Systemtic Name: (2S)-2-[(2E)-6-chloranyl-2-(furan-2-ylmethylidene)-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoate Openeye Name: (2S)-2-[(2E)-6-chloro-2-(2-furylmethylene)-3-oxo-1,4-benzoxazin-4-yl]butanoate CAS Name: (2S)-2-[(2E)-6-chloro-2-(2-furanylmethylidene)-3-oxo-1,4-benzoxazin-4-yl]butanoate IUPAC Name: (2S)-2-[(2E)-6-chloro-2-(furan-2-ylmethylidene)-3-oxo-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2S)-2-[(2E)-6-chloro-2-(2-furfurylidene)-3-keto-1,4-benzoxazin-4-yl]butyrate Formula: C17H13ClNO5- MolecularWeight: 346.74182

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1C2=C(C=CC(=C2)Cl)OC(=CC3=CC=CO3)C1=O

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClNO5/c1-2-12(17(21)22)19-13-8-10(18)5-6-14(13)24-15(16(19)20)9-11-4-3-7-23-11/h3-9,12H,2H2,1H3,(H,21,22)/p-1/b15-9+/t12-/m0/s1