(phenylmethyl) 3-(5-nitrofuran-2-yl)-5-oxidanylidene-1,2,4-oxadiazinane-2-carboxylate

Systemtic Name: (phenylmethyl) 3-(5-nitrofuran-2-yl)-5-oxidanylidene-1,2,4-oxadiazinane-2-carboxylate Openeye Name: benzyl 3-(5-nitro-2-furyl)-5-oxo-1,2,4-oxadiazinane-2-carboxylate CAS Name: 3-(5-nitro-2-furanyl)-5-oxo-1,2,4-oxadiazinane-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(5-nitrofuran-2-yl)-5-oxo-1,2,4-oxadiazinane-2-carboxylate Traditional Name: 5-keto-3-(5-nitro-2-furyl)-1,2,4-oxadiazinane-2-carboxylic acid benzyl ester Formula: C15H13N3O7 MolecularWeight: 347.27962

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC(N(O1)C(=O)OCC2=CC=CC=C2)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1C(=O)NC(N(O1)C(=O)OCC2=CC=CC=C2)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O7/c19-12-9-24-17(15(20)23-8-10-4-2-1-3-5-10)14(16-12)11-6-7-13(25-11)18(21)22/h1-7,14H,8-9H2,(H,16,19)