ethyl 1-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-deuterio-5-phenyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 1-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-deuterio-5-phenyl-pyrrole-2-carboxylate Openeye Name: ethyl 4-deuterio-1-(1,3-dioxoisoindolin-2-yl)-5-phenyl-pyrrole-2-carboxylate CAS Name: 4-deuterio-1-(1,3-dioxo-2-isoindolyl)-5-phenyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-deuterio-1-(1,3-dioxoisoindol-2-yl)-5-phenylpyrrole-2-carboxylate Traditional Name: 4-deuterio-5-phenyl-1-phthalimido-pyrrole-2-carboxylic acid ethyl ester Formula: C21H16N2O4 MolecularWeight: 361.368902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(N1N2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

Isomeric SMILES

[2H]C1=C(N(C(=C1)C(=O)OCC)N2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O4/c1-2-27-21(26)18-13-12-17(14-8-4-3-5-9-14)22(18)23-19(24)15-10-6-7-11-16(15)20(23)25/h3-13H,2H2,1H3/i12D