(4-tert-butyl-2,6-dimethyl-phenyl)methyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C28H25NO6 MolecularWeight: 471.5012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-])C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-])C)C(C)(C)C

InChI

InChI=1S/C28H25NO6/c1-15-12-17(28(3,4)5)13-16(2)22(15)14-35-27(32)21-11-10-20-23(24(21)29(33)34)26(31)19-9-7-6-8-18(19)25(20)30/h6-13H,14H2,1-5H3