2-(2-nitro-1-oxidanyl-ethyl)-5,8-bis(oxidanyl)naphthalene-1,4-dione

Systemtic Name: 2-(2-nitro-1-oxidanyl-ethyl)-5,8-bis(oxidanyl)naphthalene-1,4-dione Openeye Name: 5,8-dihydroxy-2-(1-hydroxy-2-nitro-ethyl)naphthalene-1,4-dione CAS Name: 5,8-dihydroxy-2-(1-hydroxy-2-nitroethyl)naphthalene-1,4-dione IUPAC Name: 5,8-dihydroxy-2-(1-hydroxy-2-nitroethyl)naphthalene-1,4-dione Traditional Name: 5,8-dihydroxy-2-(1-hydroxy-2-nitro-ethyl)-1,4-naphthoquinone Formula: C12H9NO7 MolecularWeight: 279.20236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1O)C(=O)C=C(C2=O)C(C[N+](=O)[O-])O)O

Isomeric SMILES

C1=CC(=C2C(=C1O)C(=O)C=C(C2=O)C(C[N+](=O)[O-])O)O

InChI

InChI=1S/C12H9NO7/c14-6-1-2-7(15)11-10(6)8(16)3-5(12(11)18)9(17)4-13(19)20/h1-3,9,14-15,17H,4H2