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

Systemtic Name: 2-[3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoic acid Openeye Name: 2-[3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]benzoic acid CAS Name: 2-[[3-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]benzoic acid IUPAC Name: 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]benzoic acid Formula: C18H13N3O7 MolecularWeight: 383.31172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O7/c22-15(19-14-4-2-1-3-12(14)18(25)26)7-8-20-16(23)11-6-5-10(21(27)28)9-13(11)17(20)24/h1-6,9H,7-8H2,(H,19,22)(H,25,26)