(2R)-2-[(2E)-2-(furan-2-ylmethylidene)-7-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoic acid

Systemtic Name: (2R)-2-[(2E)-2-(furan-2-ylmethylidene)-7-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoic acid Openeye Name: (2R)-2-[(2E)-2-(2-furylmethylene)-7-nitro-3-oxo-1,4-benzoxazin-4-yl]butanoic acid CAS Name: (2R)-2-[(2E)-2-(2-furanylmethylidene)-7-nitro-3-oxo-1,4-benzoxazin-4-yl]butanoic acid IUPAC Name: (2R)-2-[(2E)-2-(furan-2-ylmethylidene)-7-nitro-3-oxo-1,4-benzoxazin-4-yl]butanoic acid Traditional Name: (2R)-2-[(2E)-2-(2-furfurylidene)-3-keto-7-nitro-1,4-benzoxazin-4-yl]butyric acid Formula: C17H14N2O7 MolecularWeight: 358.30226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O7/c1-2-12(17(21)22)18-13-6-5-10(19(23)24)8-14(13)26-15(16(18)20)9-11-4-3-7-25-11/h3-9,12H,2H2,1H3,(H,21,22)/b15-9+/t12-/m1/s1