(3,3-dimethyl-2-oxidanylidene-butyl) 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H17NO7 MolecularWeight: 395.36218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

InChI

InChI=1S/C21H17NO7/c1-21(2,3)15(23)10-29-20(26)14-9-8-13-16(17(14)22(27)28)19(25)12-7-5-4-6-11(12)18(13)24/h4-9H,10H2,1-3H3