6,7-diethyl-3-nitro-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 6,7-diethyl-3-nitro-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 6,7-diethyl-4-hydroxy-3-nitro-naphthalene-1,2-dione CAS Name: 6,7-diethyl-4-hydroxy-3-nitronaphthalene-1,2-dione IUPAC Name: 6,7-diethyl-4-hydroxy-3-nitronaphthalene-1,2-dione Traditional Name: 6,7-diethyl-4-hydroxy-3-nitro-1,2-naphthoquinone Formula: C14H13NO5 MolecularWeight: 275.25672

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=C(C(=O)C2=O)[N+](=O)[O-])O)CC

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=C(C(=O)C2=O)[N+](=O)[O-])O)CC

InChI

InChI=1S/C14H13NO5/c1-3-7-5-9-10(6-8(7)4-2)13(17)14(18)11(12(9)16)15(19)20/h5-6,16H,3-4H2,1-2H3