[6-[2-(2-acetyloxy-4-nitro-4-oxidanyl-cyclohexa-2,5-dien-1-yl)propan-2-yl]-3-nitro-3-oxidanyl-cyclohexa-1,4-dien-1-yl] ethanoate

Systemtic Name: [6-[2-(2-acetyloxy-4-nitro-4-oxidanyl-cyclohexa-2,5-dien-1-yl)propan-2-yl]-3-nitro-3-oxidanyl-cyclohexa-1,4-dien-1-yl] ethanoate Openeye Name: [6-[1-(2-acetoxy-4-hydroxy-4-nitro-cyclohexa-2,5-dien-1-yl)-1-methyl-ethyl]-3-hydroxy-3-nitro-cyclohexa-1,4-dien-1-yl] acetate CAS Name: acetic acid [6-[2-(2-acetyloxy-4-hydroxy-4-nitro-1-cyclohexa-2,5-dienyl)propan-2-yl]-3-hydroxy-3-nitro-1-cyclohexa-1,4-dienyl] ester IUPAC Name: [6-[2-(2-acetyloxy-4-hydroxy-4-nitrocyclohexa-2,5-dien-1-yl)propan-2-yl]-3-hydroxy-3-nitrocyclohexa-1,4-dien-1-yl] acetate Traditional Name: acetic acid [6-[1-(2-acetoxy-4-hydroxy-4-nitro-cyclohexa-2,5-dien-1-yl)-1-methyl-ethyl]-3-hydroxy-3-nitro-cyclohexa-1,4-dien-1-yl] ester Formula: C19H22N2O10 MolecularWeight: 438.38538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(C=CC1C(C)(C)C2C=CC(C=C2OC(=O)C)([N+](=O)[O-])O)([N+](=O)[O-])O

Isomeric SMILES

CC(=O)OC1=CC(C=CC1C(C)(C)C2C=CC(C=C2OC(=O)C)([N+](=O)[O-])O)([N+](=O)[O-])O

InChI

InChI=1S/C19H22N2O10/c1-11(22)30-15-9-18(24,20(26)27)7-5-13(15)17(3,4)14-6-8-19(25,21(28)29)10-16(14)31-12(2)23/h5-10,13-14,24-25H,1-4H3