(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C18H13N3O7 MolecularWeight: 383.31172

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1COC2=C(O1)C=C(C(=C2)[N+](=O)[O-])C(=O)OCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C18H13N3O7/c22-18(12-8-14-15(26-7-6-25-14)9-13(12)21(23)24)27-10-16-19-17(20-28-16)11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2