(3S)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate

Systemtic Name: (3S)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]-3-phenyl-propanoate Openeye Name: (3S)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)-3-phenyl-propanoate CAS Name: (3S)-3-(4-nitro-1,3-dioxo-2-isoindolyl)-3-phenylpropanoate IUPAC Name: (3S)-3-(4-nitro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoate Traditional Name: (3S)-3-(1,3-diketo-4-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)C(CC(=O)[O-])N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O6/c20-14(21)9-13(10-5-2-1-3-6-10)18-16(22)11-7-4-8-12(19(24)25)15(11)17(18)23/h1-8,13H,9H2,(H,20,21)/p-1/t13-/m0/s1