(phenylmethyl) 2-(3-nitrophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: (phenylmethyl) 2-(3-nitrophenyl)-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: benzyl 2-(3-nitrophenyl)-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-(3-nitrophenyl)-1,3-dioxo-5-isoindolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(3-nitrophenyl)-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-(3-nitrophenyl)isoindoline-5-carboxylic acid benzyl ester Formula: C22H14N2O6 MolecularWeight: 402.35636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H14N2O6/c25-20-18-10-9-15(22(27)30-13-14-5-2-1-3-6-14)11-19(18)21(26)23(20)16-7-4-8-17(12-16)24(28)29/h1-12H,13H2