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

Systemtic Name: 4-[5-(3-azanylphenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]benzoic acid Openeye Name: 4-[5-(3-aminophenoxy)-1,3-dioxo-isoindolin-2-yl]benzoic acid CAS Name: 4-[5-(3-aminophenoxy)-1,3-dioxo-2-isoindolyl]benzoic acid IUPAC Name: 4-[5-(3-aminophenoxy)-1,3-dioxoisoindol-2-yl]benzoic acid Traditional Name: 4-[5-(3-aminophenoxy)-1,3-diketo-isoindolin-2-yl]benzoic acid Formula: C21H14N2O5 MolecularWeight: 374.34626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)O)N

InChI

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