3-[(1S,2R)-2-nitrocyclohexyl]-4-oxidanyl-naphthalene-1,2-dione

Systemtic Name: 3-[(1S,2R)-2-nitrocyclohexyl]-4-oxidanyl-naphthalene-1,2-dione Openeye Name: 4-hydroxy-3-[(1S,2R)-2-nitrocyclohexyl]naphthalene-1,2-dione CAS Name: 4-hydroxy-3-[(1S,2R)-2-nitrocyclohexyl]naphthalene-1,2-dione IUPAC Name: 4-hydroxy-3-[(1S,2R)-2-nitrocyclohexyl]naphthalene-1,2-dione Traditional Name: 4-hydroxy-3-[(1S,2R)-2-nitrocyclohexyl]-1,2-naphthoquinone Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=C(C3=CC=CC=C3C(=O)C2=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CC[C@H]([C@@H](C1)C2=C(C3=CC=CC=C3C(=O)C2=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO5/c18-14-9-5-1-2-6-10(9)15(19)16(20)13(14)11-7-3-4-8-12(11)17(21)22/h1-2,5-6,11-12,18H,3-4,7-8H2/t11-,12-/m1/s1