5-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentanoic acid

Systemtic Name: 5-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentanoic acid Openeye Name: 5-(5-nitro-1,3-dioxo-isoindolin-2-yl)pentanoic acid CAS Name: 5-(5-nitro-1,3-dioxo-2-isoindolyl)pentanoic acid IUPAC Name: 5-(5-nitro-1,3-dioxoisoindol-2-yl)pentanoic acid Traditional Name: 5-(1,3-diketo-5-nitro-isoindolin-2-yl)valeric acid Formula: C13H12N2O6 MolecularWeight: 292.24418

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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/c16-11(17)3-1-2-6-14-12(18)9-5-4-8(15(20)21)7-10(9)13(14)19/h4-5,7H,1-3,6H2,(H,16,17)