2-[2-(4-nitrophenyl)carbonyloxyethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[2-(4-nitrophenyl)carbonyloxyethyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[2-(4-nitrobenzoyl)oxyethyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[2-[(4-nitrophenyl)-oxomethoxy]ethyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[2-(4-nitrobenzoyl)oxyethyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 1,3-diketo-2-[2-(4-nitrobenzoyl)oxyethyl]isoindoline-5-carboxylic acid Formula: C18H12N2O8 MolecularWeight: 384.29648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

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