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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 3,5-dinitrobenzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid 2-phthalimidoethyl ester Formula: C17H11N3O8 MolecularWeight: 385.28454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

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