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

Systemtic Name: 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3,5-dinitrobenzoate Openeye Name: 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)ethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2-(4-nitro-1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 2-(1,3-diketo-4-nitro-isoindolin-2-yl)ethyl ester Formula: C17H10N4O10 MolecularWeight: 430.2821

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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(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H10N4O10/c22-15-12-2-1-3-13(21(29)30)14(12)16(23)18(15)4-5-31-17(24)9-6-10(19(25)26)8-11(7-9)20(27)28/h1-3,6-8H,4-5H2