2,3-bis(2-methyl-2-nitro-propyl)anthracene-1,4-dione

Systemtic Name: 2,3-bis(2-methyl-2-nitro-propyl)anthracene-1,4-dione Openeye Name: 2,3-bis(2-methyl-2-nitro-propyl)anthracene-1,4-dione CAS Name: 2,3-bis(2-methyl-2-nitropropyl)anthracene-1,4-dione IUPAC Name: 2,3-bis(2-methyl-2-nitropropyl)anthracene-1,4-dione Traditional Name: 2,3-bis(2-methyl-2-nitro-propyl)-1,4-anthraquinone Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=C(C(=O)C2=CC3=CC=CC=C3C=C2C1=O)CC(C)(C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(CC1=C(C(=O)C2=CC3=CC=CC=C3C=C2C1=O)CC(C)(C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H22N2O6/c1-21(2,23(27)28)11-17-18(12-22(3,4)24(29)30)20(26)16-10-14-8-6-5-7-13(14)9-15(16)19(17)25/h5-10H,11-12H2,1-4H3