2-(2,2,3-trimethyl-6-nitro-3-oxidanyl-4H-chromen-4-yl)-1H-pyridazine-3,6-dione

Systemtic Name: 2-(2,2,3-trimethyl-6-nitro-3-oxidanyl-4H-chromen-4-yl)-1H-pyridazine-3,6-dione Openeye Name: 2-(3-hydroxy-2,2,3-trimethyl-6-nitro-chroman-4-yl)-1H-pyridazine-3,6-dione CAS Name: 2-(3-hydroxy-2,2,3-trimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl)-1H-pyridazine-3,6-dione IUPAC Name: 2-(3-hydroxy-2,2,3-trimethyl-6-nitro-4H-chromen-4-yl)-1H-pyridazine-3,6-dione Traditional Name: 2-(3-hydroxy-2,2,3-trimethyl-6-nitro-chroman-4-yl)-1H-pyridazine-3,6-quinone Formula: C16H17N3O6 MolecularWeight: 347.32268

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C(=O)C=CC(=O)N3)(C)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N3C(=O)C=CC(=O)N3)(C)O)C

InChI

InChI=1S/C16H17N3O6/c1-15(2)16(3,22)14(18-13(21)7-6-12(20)17-18)10-8-9(19(23)24)4-5-11(10)25-15/h4-8,14,22H,1-3H3,(H,17,20)