[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid [2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C27H19N3O7 MolecularWeight: 497.45566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)C2=CNC3=CC=CC=C32)OC(=O)CCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)C2=CNC3=CC=CC=C32)OC(=O)CCN4C(=O)C5=C(C4=O)C(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H19N3O7/c31-22(13-14-29-26(33)18-10-6-12-21(30(35)36)23(18)27(29)34)37-25(16-7-2-1-3-8-16)24(32)19-15-28-20-11-5-4-9-17(19)20/h1-12,15,25,28H,13-14H2