ethyl 3-[[1-nitro-9,10-bis(oxidanylidene)anthracen-2-yl]carbonyloxymethyl]-1-benzofuran-2-carboxylate

Systemtic Name: ethyl 3-[[1-nitro-9,10-bis(oxidanylidene)anthracen-2-yl]carbonyloxymethyl]-1-benzofuran-2-carboxylate Openeye Name: ethyl 3-[(1-nitro-9,10-dioxo-anthracene-2-carbonyl)oxymethyl]benzofuran-2-carboxylate CAS Name: 3-[[(1-nitro-9,10-dioxo-2-anthracenyl)-oxomethoxy]methyl]-2-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(1-nitro-9,10-dioxoanthracene-2-carbonyl)oxymethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[(9,10-diketo-1-nitro-anthracene-2-carbonyl)oxymethyl]coumarilic acid ethyl ester Formula: C27H17NO9 MolecularWeight: 499.42518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)[N+](=O)[O-]

InChI

InChI=1S/C27H17NO9/c1-2-35-27(32)25-19(14-7-5-6-10-20(14)37-25)13-36-26(31)18-12-11-17-21(22(18)28(33)34)24(30)16-9-4-3-8-15(16)23(17)29/h3-12H,2,13H2,1H3