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

Systemtic Name: 4-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]benzoic acid Openeye Name: 4-[6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoylamino]benzoic acid CAS Name: 4-[[6-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]benzoic acid IUPAC Name: 4-[6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoylamino]benzoic acid Traditional Name: 4-[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=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCCCCC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

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

InChI

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