2-methyl-8-nitro-5-oxidanyl-3-propyl-naphthalene-1,4-dione

Systemtic Name: 2-methyl-8-nitro-5-oxidanyl-3-propyl-naphthalene-1,4-dione Openeye Name: 5-hydroxy-2-methyl-8-nitro-3-propyl-naphthalene-1,4-dione CAS Name: 5-hydroxy-2-methyl-8-nitro-3-propylnaphthalene-1,4-dione IUPAC Name: 5-hydroxy-2-methyl-8-nitro-3-propylnaphthalene-1,4-dione Traditional Name: 5-hydroxy-2-methyl-8-nitro-3-propyl-1,4-naphthoquinone Formula: C14H13NO5 MolecularWeight: 275.25672

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)C2=C(C=CC(=C2C1=O)O)[N+](=O)[O-])C

Isomeric SMILES

CCCC1=C(C(=O)C2=C(C=CC(=C2C1=O)O)[N+](=O)[O-])C

InChI

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