3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-nitrofuran-2-yl)methanamine

Systemtic Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-nitrofuran-2-yl)methanamine Openeye Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-nitro-2-furyl)methanamine CAS Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-nitro-2-furanyl)methanamine IUPAC Name: 3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-nitrofuran-2-yl)methanamine Traditional Name: [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-nitro-2-furyl)methyl]amine Formula: C14H14N2O5 MolecularWeight: 290.27136

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C(C3=CC=C(O3)[N+](=O)[O-])N)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C(C3=CC=C(O3)[N+](=O)[O-])N)OC1

InChI

InChI=1S/C14H14N2O5/c15-14(11-4-5-13(21-11)16(17)18)9-2-3-10-12(8-9)20-7-1-6-19-10/h2-5,8,14H,1,6-7,15H2