2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-nitrobenzoate

Systemtic Name: 2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-nitrobenzoate Openeye Name: 2-(5-nitro-1,3-dioxo-isoindolin-2-yl)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-(5-nitro-1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(5-nitro-1,3-dioxoisoindol-2-yl)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(1,3-diketo-5-nitro-isoindolin-2-yl)ethyl ester Formula: C17H11N3O8 MolecularWeight: 385.28454

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)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H11N3O8/c21-15-13-6-5-12(20(26)27)9-14(13)16(22)18(15)7-8-28-17(23)10-1-3-11(4-2-10)19(24)25/h1-6,9H,7-8H2