1'-methyl-5-nitro-spiro[2H-1-benzofuran-3,5'-azepane]-2'-one

Systemtic Name: 1'-methyl-5-nitro-spiro[2H-1-benzofuran-3,5'-azepane]-2'-one Openeye Name: 1'-methyl-5-nitro-spiro[2H-benzofuran-3,5'-azepane]-2'-one CAS Name: 1'-methyl-5-nitro-2'-spiro[2H-benzofuran-3,5'-azepane]one IUPAC Name: 1'-methyl-5-nitrospiro[2H-1-benzofuran-3,5'-azepane]-2'-one Traditional Name: 1-methyl-5'-nitro-spiro[azepane-5,3'-coumaran]-2-one Formula: C14H16N2O4 MolecularWeight: 276.28784

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2(CCC1=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCC2(CCC1=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O4/c1-15-7-6-14(5-4-13(15)17)9-20-12-3-2-10(16(18)19)8-11(12)14/h2-3,8H,4-7,9H2,1H3