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

Systemtic Name: 5-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-5-[[2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]benzoic acid CAS Name: 2-hydroxy-5-[[2-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 2-hydroxy-5-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid Traditional Name: 5-[[2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetyl]amino]-2-hydroxy-benzoic acid Formula: C17H11N3O8 MolecularWeight: 385.28454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O)O

InChI

InChI=1S/C17H11N3O8/c21-13-4-1-8(5-12(13)17(25)26)18-14(22)7-19-15(23)10-3-2-9(20(27)28)6-11(10)16(19)24/h1-6,21H,7H2,(H,18,22)(H,25,26)