(2-morpholin-4-yl-2-oxidanylidene-ethyl) 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (2-morpholino-2-oxo-ethyl) 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid (2-keto-2-morpholino-ethyl) ester Formula: C21H16N2O8 MolecularWeight: 424.36034

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O8/c24-16(22-7-9-30-10-8-22)11-31-21(27)15-6-5-14-17(18(15)23(28)29)20(26)13-4-2-1-3-12(13)19(14)25/h1-6H,7-11H2