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

Systemtic Name: sodium 3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: sodium 3-(5-bromo-1,3-dioxo-isoindolin-2-yl)-3-phenyl-propanoate CAS Name: sodium 3-(5-bromo-1,3-dioxo-2-isoindolyl)-3-phenylpropanoate IUPAC Name: sodium 3-(5-bromo-1,3-dioxoisoindol-2-yl)-3-phenylpropanoate Traditional Name: sodium 3-(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)C(CC(=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)Br.[Na+]

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=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(8-11)17(23)19(16(12)22)14(9-15(20)21)10-4-2-1-3-5-10;/h1-8,14H,9H2,(H,20,21);/q;+1/p-1