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

Systemtic Name: 2-[3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoyloxy]benzoic acid Openeye Name: 2-[3-(5-nitro-1,3-dioxo-isoindolin-2-yl)propanoyloxy]benzoic acid CAS Name: 2-[3-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropoxy]benzoic acid IUPAC Name: 2-[3-(5-nitro-1,3-dioxoisoindol-2-yl)propanoyloxy]benzoic acid Traditional Name: 2-[3-(1,3-diketo-5-nitro-isoindolin-2-yl)propanoyloxy]benzoic acid Formula: C18H12N2O8 MolecularWeight: 384.29648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12N2O8/c21-15(28-14-4-2-1-3-12(14)18(24)25)7-8-19-16(22)11-6-5-10(20(26)27)9-13(11)17(19)23/h1-6,9H,7-8H2,(H,24,25)