sodium 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate

Systemtic Name: sodium 2-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: sodium 2-(5-bromo-1,3-dioxo-isoindolin-2-yl)-3-phenyl-propanoate CAS Name: sodium 2-(5-bromo-1,3-dioxo-2-isoindolyl)-3-phenylpropanoate IUPAC Name: sodium 2-(5-bromo-1,3-dioxoisoindol-2-yl)-3-phenylpropanoate Traditional Name: sodium 2-(5-bromo-1,3-diketo-isoindolin-2-yl)-3-phenyl-propionate Formula: C17H11BrNNaO4 MolecularWeight: 396.16731

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)Br.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)Br.[Na+]

InChI

InChI=1S/C17H12BrNO4.Na/c18-11-6-7-12-13(9-11)16(21)19(15(12)20)14(17(22)23)8-10-4-2-1-3-5-10;/h1-7,9,14H,8H2,(H,22,23);/q;+1/p-1