(3S)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[(E)-(5-nitro-2-furyl)methyleneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[(E)-(5-nitro-2-furanyl)methylideneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[(E)-(5-nitro-2-furyl)methyleneamino]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C14H11N3O6 MolecularWeight: 317.25364

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NN=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2O1)C(=O)N/N=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O6/c18-14(12-8-21-10-3-1-2-4-11(10)23-12)16-15-7-9-5-6-13(22-9)17(19)20/h1-7,12H,8H2,(H,16,18)/b15-7+/t12-/m0/s1