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

Systemtic Name: (2R)-2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: (2R)-2-(5-nitro-1,3-dioxo-isoindolin-2-yl)-3-phenyl-propanoate CAS Name: (2R)-2-(5-nitro-1,3-dioxo-2-isoindolyl)-3-phenylpropanoate IUPAC Name: (2R)-2-(5-nitro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoate Traditional Name: (2R)-2-(1,3-diketo-5-nitro-isoindolin-2-yl)-3-phenyl-propionate Formula: C17H11N2O6- MolecularWeight: 339.27904

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

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O6/c20-15-12-7-6-11(19(24)25)9-13(12)16(21)18(15)14(17(22)23)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,22,23)/p-1/t14-/m1/s1