2-[3-(4-nitrophenoxy)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate

Systemtic Name: 2-[3-(4-nitrophenoxy)phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylate Openeye Name: 2-[3-(4-nitrophenoxy)phenyl]-1,3-dioxo-isoindoline-5-carboxylate CAS Name: 2-[3-(4-nitrophenoxy)phenyl]-1,3-dioxo-5-isoindolecarboxylate IUPAC Name: 2-[3-(4-nitrophenoxy)phenyl]-1,3-dioxoisoindole-5-carboxylate Traditional Name: 1,3-diketo-2-[3-(4-nitrophenoxy)phenyl]isoindoline-5-carboxylate Formula: C21H11N2O7- MolecularWeight: 403.32124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C21H12N2O7/c24-19-17-9-4-12(21(26)27)10-18(17)20(25)22(19)14-2-1-3-16(11-14)30-15-7-5-13(6-8-15)23(28)29/h1-11H,(H,26,27)/p-1