5-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentanoate

Systemtic Name: 5-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentanoate Openeye Name: 5-(4-nitro-1,3-dioxo-isoindolin-2-yl)pentanoate CAS Name: 5-(4-nitro-1,3-dioxo-2-isoindolyl)pentanoate IUPAC Name: 5-(4-nitro-1,3-dioxoisoindol-2-yl)pentanoate Traditional Name: 5-(1,3-diketo-4-nitro-isoindolin-2-yl)valerate Formula: C13H11N2O6- MolecularWeight: 291.23624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCCC(=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCCC(=O)[O-]

InChI

InChI=1S/C13H12N2O6/c16-10(17)6-1-2-7-14-12(18)8-4-3-5-9(15(20)21)11(8)13(14)19/h3-5H,1-2,6-7H2,(H,16,17)/p-1