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

Systemtic Name: sodium 3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: sodium 3-(5-nitro-1,3-dioxo-isoindolin-2-yl)-3-phenyl-propanoate CAS Name: sodium 3-(5-nitro-1,3-dioxo-2-isoindolyl)-3-phenylpropanoate IUPAC Name: sodium 3-(5-nitro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoate Traditional Name: sodium 3-(1,3-diketo-5-nitro-isoindolin-2-yl)-3-phenyl-propionate Formula: C17H11N2NaO6 MolecularWeight: 362.26881

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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)[N+](=O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O6.Na/c20-15(21)9-14(10-4-2-1-3-5-10)18-16(22)12-7-6-11(19(24)25)8-13(12)17(18)23;/h1-8,14H,9H2,(H,20,21);/q;+1/p-1