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

Systemtic Name: cyanomethyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: cyanomethyl 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid cyanomethyl ester Formula: C17H8N2O6 MolecularWeight: 336.25522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCC#N)[N+](=O)[O-]

InChI

InChI=1S/C17H8N2O6/c18-7-8-25-17(22)12-6-5-11-13(14(12)19(23)24)16(21)10-4-2-1-3-9(10)15(11)20/h1-6H,8H2