(4-tert-butylphenyl)methyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid (4-tert-butylbenzyl) ester Formula: C26H21NO6 MolecularWeight: 443.44804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C26H21NO6/c1-26(2,3)16-10-8-15(9-11-16)14-33-25(30)20-13-12-19-21(22(20)27(31)32)24(29)18-7-5-4-6-17(18)23(19)28/h4-13H,14H2,1-3H3