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

Systemtic Name: 3-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzoic acid Openeye Name: 3-[6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoylamino]benzoic acid CAS Name: 3-[[6-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]benzoic acid IUPAC Name: 3-[6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoylamino]benzoic acid Traditional Name: 3-[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(=CC(=C1)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O7/c25-17(22-14-7-4-6-13(12-14)21(28)29)10-2-1-3-11-23-19(26)15-8-5-9-16(24(30)31)18(15)20(23)27/h4-9,12H,1-3,10-11H2,(H,22,25)(H,28,29)