2-[(2R)-3-(4-nitrophenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[(2R)-3-(4-nitrophenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[(1R)-2-hydroxy-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[(2R)-1-hydroxy-3-(4-nitrophenyl)-1-oxopropan-2-yl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[(2R)-1-hydroxy-3-(4-nitrophenyl)-1-oxopropan-2-yl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[(1R)-2-hydroxy-2-keto-1-(4-nitrobenzyl)ethyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C18H12N2O8 MolecularWeight: 384.29648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[C@H](C(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H12N2O8/c21-15-12-6-3-10(17(23)24)8-13(12)16(22)19(15)14(18(25)26)7-9-1-4-11(5-2-9)20(27)28/h1-6,8,14H,7H2,(H,23,24)(H,25,26)/t14-/m1/s1