phenyl 4-[[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]benzoate

Systemtic Name: phenyl 4-[[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]methylamino]benzoate Openeye Name: phenyl 4-[(5-bromo-1,3-dioxo-isoindolin-2-yl)methylamino]benzoate CAS Name: 4-[(5-bromo-1,3-dioxo-2-isoindolyl)methylamino]benzoic acid phenyl ester IUPAC Name: phenyl 4-[(5-bromo-1,3-dioxoisoindol-2-yl)methylamino]benzoate Traditional Name: 4-[(5-bromo-1,3-diketo-isoindolin-2-yl)methylamino]benzoic acid phenyl ester Formula: C22H15BrN2O4 MolecularWeight: 451.2695

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)NCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)NCN3C(=O)C4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C22H15BrN2O4/c23-15-8-11-18-19(12-15)21(27)25(20(18)26)13-24-16-9-6-14(7-10-16)22(28)29-17-4-2-1-3-5-17/h1-12,24H,13H2