2,3-bis(2-methyl-2-nitro-pentyl)naphthalene-1,4-dione

Systemtic Name: 2,3-bis(2-methyl-2-nitro-pentyl)naphthalene-1,4-dione Openeye Name: 2,3-bis(2-methyl-2-nitro-pentyl)naphthalene-1,4-dione CAS Name: 2,3-bis(2-methyl-2-nitropentyl)naphthalene-1,4-dione IUPAC Name: 2,3-bis(2-methyl-2-nitropentyl)naphthalene-1,4-dione Traditional Name: 2,3-bis(2-methyl-2-nitro-pentyl)-1,4-naphthoquinone Formula: C22H28N2O6 MolecularWeight: 416.46752

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(CC1=C(C(=O)C2=CC=CC=C2C1=O)CC(C)(CCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC(C)(CC1=C(C(=O)C2=CC=CC=C2C1=O)CC(C)(CCC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H28N2O6/c1-5-11-21(3,23(27)28)13-17-18(14-22(4,12-6-2)24(29)30)20(26)16-10-8-7-9-15(16)19(17)25/h7-10H,5-6,11-14H2,1-4H3