(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C21H13N3O7 MolecularWeight: 419.34382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13N3O7/c1-10(23)15(8-22)16(25)9-31-21(28)14-7-6-13-17(18(14)24(29)30)20(27)12-5-3-2-4-11(12)19(13)26/h2-7,15,23H,9H2,1H3