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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

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