2,4-dimethylpentyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: 2,4-dimethylpentyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: 2,4-dimethylpentyl 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid 2,4-dimethylpentyl ester IUPAC Name: 2,4-dimethylpentyl 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid 2,4-dimethylpentyl ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO6/c1-12(2)10-13(3)11-29-22(26)17-9-8-16-18(19(17)23(27)28)21(25)15-7-5-4-6-14(15)20(16)24/h4-9,12-13H,10-11H2,1-3H3