(1-cyanoindolizin-2-yl)methyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (1-cyanoindolizin-2-yl)methyl 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C25H13N3O6 MolecularWeight: 451.38722

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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)OCC4=CN5C=CC=CC5=C4C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCC4=CN5C=CC=CC5=C4C#N)[N+](=O)[O-]

InChI

InChI=1S/C25H13N3O6/c26-11-19-14(12-27-10-4-3-7-20(19)27)13-34-25(31)18-9-8-17-21(22(18)28(32)33)24(30)16-6-2-1-5-15(16)23(17)29/h1-10,12H,13H2