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

Systemtic Name: 3-[5-(4-azanylphenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: 3-[5-(4-aminophenoxy)-1,3-dioxo-isoindolin-2-yl]benzoate CAS Name: 3-[5-(4-aminophenoxy)-1,3-dioxo-2-isoindolyl]benzoate IUPAC Name: 3-[5-(4-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoate Traditional Name: 3-[5-(4-aminophenoxy)-1,3-diketo-isoindolin-2-yl]benzoate Formula: C21H13N2O5- MolecularWeight: 373.33832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)N)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)N)C(=O)[O-]

InChI

InChI=1S/C21H14N2O5/c22-13-4-6-15(7-5-13)28-16-8-9-17-18(11-16)20(25)23(19(17)24)14-3-1-2-12(10-14)21(26)27/h1-11H,22H2,(H,26,27)/p-1