2-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]benzoate

Systemtic Name: 2-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]benzoate Openeye Name: 2-[[2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]benzoate CAS Name: 2-[[2-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]benzoate IUPAC Name: 2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate Traditional Name: 2-[[2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetyl]amino]benzoate Formula: C17H10N3O7- MolecularWeight: 368.2772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)[O-])NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)[O-])NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H11N3O7/c21-14(18-13-4-2-1-3-11(13)17(24)25)8-19-15(22)10-6-5-9(20(26)27)7-12(10)16(19)23/h1-7H,8H2,(H,18,21)(H,24,25)/p-1