(2-butoxy-2-oxidanylidene-ethyl) 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (2-butoxy-2-oxidanylidene-ethyl) 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (2-butoxy-2-oxo-ethyl) 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid (2-butoxy-2-oxoethyl) ester IUPAC Name: (2-butoxy-2-oxoethyl) 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid (2-butoxy-2-keto-ethyl) ester Formula: C21H17NO8 MolecularWeight: 411.36158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO8/c1-2-3-10-29-16(23)11-30-21(26)15-9-8-14-17(18(15)22(27)28)20(25)13-7-5-4-6-12(13)19(14)24/h4-9H,2-3,10-11H2,1H3