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

Systemtic Name: (2R)-2-[(2E)-2-(furan-2-ylmethylidene)-6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: (2R)-2-[(2E)-2-(2-furylmethylene)-6-nitro-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: (2R)-2-[(2E)-2-(2-furanylmethylidene)-6-nitro-3-oxo-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: (2R)-2-[(2E)-2-(furan-2-ylmethylidene)-6-nitro-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: (2R)-2-[(2E)-2-(2-furfurylidene)-3-keto-6-nitro-1,4-benzoxazin-4-yl]propionic acid Formula: C16H12N2O7 MolecularWeight: 344.27568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O7/c1-9(16(20)21)17-12-7-10(18(22)23)4-5-13(12)25-14(15(17)19)8-11-3-2-6-24-11/h2-9H,1H3,(H,20,21)/b14-8+/t9-/m1/s1