[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl] 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid [2-(1,3-benzodioxol-5-yl)-2-keto-ethyl] ester Formula: C24H13NO9 MolecularWeight: 459.36132

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)COC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

InChI

InChI=1S/C24H13NO9/c26-17(12-5-8-18-19(9-12)34-11-33-18)10-32-24(29)16-7-6-15-20(21(16)25(30)31)23(28)14-4-2-1-3-13(14)22(15)27/h1-9H,10-11H2