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

Systemtic Name: (3-nitrophenyl)methyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (3-nitrophenyl)methyl 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid (3-nitrobenzyl) ester Formula: C22H12N2O8 MolecularWeight: 432.33928

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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)[N+](=O)[O-])[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)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H12N2O8/c25-20-14-6-1-2-7-15(14)21(26)18-16(20)8-9-17(19(18)24(30)31)22(27)32-11-12-4-3-5-13(10-12)23(28)29/h1-10H,11H2