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

Systemtic Name: [1,3-bis(oxidanylidene)isoindol-2-yl]methyl 3,5-dinitrobenzoate Openeye Name: (1,3-dioxoisoindolin-2-yl)methyl 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (1,3-dioxo-2-isoindolyl)methyl ester IUPAC Name: (1,3-dioxoisoindol-2-yl)methyl 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid phthalimidomethyl ester Formula: C16H9N3O8 MolecularWeight: 371.25796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9N3O8/c20-14-12-3-1-2-4-13(12)15(21)17(14)8-27-16(22)9-5-10(18(23)24)7-11(6-9)19(25)26/h1-7H,8H2