2-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzoic acid

Systemtic Name: 2-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzoic acid Openeye Name: 2-[6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoylamino]benzoic acid CAS Name: 2-[[6-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]benzoic acid IUPAC Name: 2-[6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoylamino]benzoic acid Traditional Name: 2-[6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanoylamino]benzoic acid Formula: C21H19N3O7 MolecularWeight: 425.39146

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O7/c25-17(22-15-9-4-3-7-13(15)21(28)29)11-2-1-5-12-23-19(26)14-8-6-10-16(24(30)31)18(14)20(23)27/h3-4,6-10H,1-2,5,11-12H2,(H,22,25)(H,28,29)