5-nitro-2,3-dipentoxy-naphthalene-1,4-dione

Systemtic Name: 5-nitro-2,3-dipentoxy-naphthalene-1,4-dione Openeye Name: 5-nitro-2,3-dipentoxy-naphthalene-1,4-dione CAS Name: 5-nitro-2,3-dipentoxynaphthalene-1,4-dione IUPAC Name: 5-nitro-2,3-dipentoxynaphthalene-1,4-dione Traditional Name: 2,3-diamoxy-5-nitro-1,4-naphthoquinone Formula: C20H25NO6 MolecularWeight: 375.4156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=O)C2=C(C1=O)C=CC=C2[N+](=O)[O-])OCCCCC

Isomeric SMILES

CCCCCOC1=C(C(=O)C2=C(C1=O)C=CC=C2[N+](=O)[O-])OCCCCC

InChI

InChI=1S/C20H25NO6/c1-3-5-7-12-26-19-17(22)14-10-9-11-15(21(24)25)16(14)18(23)20(19)27-13-8-6-4-2/h9-11H,3-8,12-13H2,1-2H3