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

Systemtic Name: 2-[3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-5-oxidanyl-benzoic acid Openeye Name: 5-hydroxy-2-[3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]benzoic acid CAS Name: 5-hydroxy-2-[[3-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 5-hydroxy-2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoic acid Traditional Name: 2-[3-(1,3-diketo-5-nitro-isoindolin-2-yl)propanoylamino]-5-hydroxy-benzoic acid Formula: C18H13N3O8 MolecularWeight: 399.31112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)NC3=C(C=C(C=C3)O)C(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)NC3=C(C=C(C=C3)O)C(=O)O

InChI

InChI=1S/C18H13N3O8/c22-10-2-4-14(13(8-10)18(26)27)19-15(23)5-6-20-16(24)11-3-1-9(21(28)29)7-12(11)17(20)25/h1-4,7-8,22H,5-6H2,(H,19,23)(H,26,27)