2-(morpholin-4-ium-4-ylmethyl)-4-nitro-isoindole-1,3-dione

Systemtic Name: 2-(morpholin-4-ium-4-ylmethyl)-4-nitro-isoindole-1,3-dione Openeye Name: 2-(morpholin-4-ium-4-ylmethyl)-4-nitro-isoindoline-1,3-dione CAS Name: 2-(4-morpholin-4-iumylmethyl)-4-nitroisoindole-1,3-dione IUPAC Name: 2-(morpholin-4-ium-4-ylmethyl)-4-nitroisoindole-1,3-dione Traditional Name: 2-(morpholin-4-ium-4-ylmethyl)-4-nitro-isoindoline-1,3-quinone Formula: C13H14N3O5+ MolecularWeight: 292.26736

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5/c17-12-9-2-1-3-10(16(19)20)11(9)13(18)15(12)8-14-4-6-21-7-5-14/h1-3H,4-8H2/p+1