(3-cyanophenyl)methyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (3-cyanophenyl)methyl 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid (3-cyanobenzyl) ester Formula: C23H12N2O6 MolecularWeight: 412.35118

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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=CC=CC(=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCC4=CC=CC(=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C23H12N2O6/c24-11-13-4-3-5-14(10-13)12-31-23(28)18-9-8-17-19(20(18)25(29)30)22(27)16-7-2-1-6-15(16)21(17)26/h1-10H,12H2