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

Systemtic Name: 5-bromanyl-2-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]benzoic acid Openeye Name: 5-bromo-2-[[2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]benzoic acid CAS Name: 5-bromo-2-[[2-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-bromo-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]benzoic acid Traditional Name: 5-bromo-2-[[2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetyl]amino]benzoic acid Formula: C17H10BrN3O7 MolecularWeight: 448.1812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H10BrN3O7/c18-8-1-4-13(12(5-8)17(25)26)19-14(22)7-20-15(23)10-3-2-9(21(27)28)6-11(10)16(20)24/h1-6H,7H2,(H,19,22)(H,25,26)