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

Systemtic Name: 3-[5-(3-azanylphenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: 3-[5-(3-aminophenoxy)-1,3-dioxo-isoindolin-2-yl]propanoate CAS Name: 3-[5-(3-aminophenoxy)-1,3-dioxo-2-isoindolyl]propanoate IUPAC Name: 3-[5-(3-aminophenoxy)-1,3-dioxoisoindol-2-yl]propanoate Traditional Name: 3-[5-(3-aminophenoxy)-1,3-diketo-isoindolin-2-yl]propionate Formula: C17H13N2O5- MolecularWeight: 325.29552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)[O-])N

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC3=C(C=C2)C(=O)N(C3=O)CCC(=O)[O-])N

InChI

InChI=1S/C17H14N2O5/c18-10-2-1-3-11(8-10)24-12-4-5-13-14(9-12)17(23)19(16(13)22)7-6-15(20)21/h1-5,8-9H,6-7,18H2,(H,20,21)/p-1