[1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [1-(1-adamantyl)-1-oxidanylidene-propan-2-yl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-(1-adamantyl)-1-methyl-2-oxo-ethyl] 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid [1-(1-adamantyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1-adamantyl)-1-oxopropan-2-yl] 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid [2-(1-adamantyl)-2-keto-1-methyl-ethyl] ester Formula: C28H25NO7 MolecularWeight: 487.5006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=C(C5=C(C=C4)C(=O)C6=CC=CC=C6C5=O)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)OC(=O)C4=C(C5=C(C=C4)C(=O)C6=CC=CC=C6C5=O)[N+](=O)[O-]

InChI

InChI=1S/C28H25NO7/c1-14(26(32)28-11-15-8-16(12-28)10-17(9-15)13-28)36-27(33)21-7-6-20-22(23(21)29(34)35)25(31)19-5-3-2-4-18(19)24(20)30/h2-7,14-17H,8-13H2,1H3