phenyl 4-[3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-2-oxidanyl-benzoate

Systemtic Name: phenyl 4-[3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-2-oxidanyl-benzoate Openeye Name: phenyl 2-hydroxy-4-[3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]benzoate CAS Name: 2-hydroxy-4-[[3-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]benzoic acid phenyl ester IUPAC Name: phenyl 2-hydroxy-4-[3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoate Traditional Name: 4-[3-(1,3-diketo-4-nitro-isoindolin-2-yl)propanoylamino]-2-hydroxy-benzoic acid phenyl ester Formula: C24H17N3O8 MolecularWeight: 475.40708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)NC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)NC(=O)CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])O

InChI

InChI=1S/C24H17N3O8/c28-19-13-14(9-10-16(19)24(32)35-15-5-2-1-3-6-15)25-20(29)11-12-26-22(30)17-7-4-8-18(27(33)34)21(17)23(26)31/h1-10,13,28H,11-12H2,(H,25,29)